[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate

C299H414F4N60O42 — CID 159526710

IUPAC[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(NC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1
InChIInChI=1S/2C66H89F2N13O9.C57H82N12O8.2C55H77N11O8/c2*1-7-29-81(30-8-2)63(87)49-32-47-23-24-48(34-55(47)77-56(69)35-49)60(84)76-52-33-50-38-80(31-27-53(50)72-36-52)37-44-17-21-46(22-18-44)59(83)73-40-66(67,68)41-74-65(89)90-39-45-19-25-51(26-20-45)75-61(85)54(15-13-28-71-64(70)88)78-62(86)58(43(5)6)79-57(82)16-12-10-9-11-14-42(3)4;1-7-28-69(29-8-2)55(74)42-32-40-19-20-41(33-47(40)65-48(58)34-42)52(71)63-45-23-24-49(61-35-45)68-30-25-44(26-31-68)64-57(76)77-36-39-17-21-43(22-18-39)62-53(72)46(15-13-27-60-56(59)75)66-54(73)51(38(5)6)67-50(70)16-12-10-9-11-14-37(3)4;2*1-7-25-65(26-8-2)53(71)40-28-38-19-20-39(30-46(38)62-47(56)31-40)50(68)61-43-29-41-33-66(27-23-44(41)59-32-43)55(73)74-34-37-17-21-42(22-18-37)60-51(69)45(15-13-24-58-54(57)72)63-52(70)49(36(5)6)64-48(67)16-12-10-9-11-14-35(3)4/h2*17-26,32-34,36,42-43,54,58H,7-16,27-31,35,37-41H2,1-6H3,(H2,69,77)(H,73,83)(H,74,89)(H,75,85)(H,76,84)(H,78,86)(H,79,82)(H3,70,71,88);17-24,32-33,35,37-38,44,46,51H,7-16,25-31,34,36H2,1-6H3,(H2,58,65)(H,62,72)(H,63,71)(H,64,76)(H,66,73)(H,67,70)(H3,59,60,75);2*17-22,28-30,32,35-36,45,49H,7-16,23-27,31,33-34H2,1-6H3,(H2,56,62)(H,60,69)(H,61,68)(H,63,70)(H,64,67)(H3,57,58,72)/t54-,58-;;46-,51-;45-,49-;/m0.00./s1
InChIKeyMCLZMNVHNXMXCP-MUFUWKOUSA-N
MW5596.97 g/mol
LogP39.82
Rot. Bonds146

About [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 159526710) has the molecular formula C299H414F4N60O42 and a molecular weight of 5596.97 g/mol. Its IUPAC name is [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Name[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate
PubChem CID159526710
Molecular FormulaC299H414F4N60O42
Molecular Weight5596.97 g/mol
Exact Mass5593.20
IUPAC Name[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(NC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1
InChIInChI=1S/2C66H89F2N13O9.C57H82N12O8.2C55H77N11O8/c2*1-7-29-81(30-8-2)63(87)49-32-47-23-24-48(34-55(47)77-56(69)35-49)60(84)76-52-33-50-38-80(31-27-53(50)72-36-52)37-44-17-21-46(22-18-44)59(83)73-40-66(67,68)41-74-65(89)90-39-45-19-25-51(26-20-45)75-61(85)54(15-13-28-71-64(70)88)78-62(86)58(43(5)6)79-57(82)16-12-10-9-11-14-42(3)4;1-7-28-69(29-8-2)55(74)42-32-40-19-20-41(33-47(40)65-48(58)34-42)52(71)63-45-23-24-49(61-35-45)68-30-25-44(26-31-68)64-57(76)77-36-39-17-21-43(22-18-39)62-53(72)46(15-13-27-60-56(59)75)66-54(73)51(38(5)6)67-50(70)16-12-10-9-11-14-37(3)4;2*1-7-25-65(26-8-2)53(71)40-28-38-19-20-39(30-46(38)62-47(56)31-40)50(68)61-43-29-41-33-66(27-23-44(41)59-32-43)55(73)74-34-37-17-21-42(22-18-37)60-51(69)45(15-13-24-58-54(57)72)63-52(70)49(36(5)6)64-48(67)16-12-10-9-11-14-35(3)4/h2*17-26,32-34,36,42-43,54,58H,7-16,27-31,35,37-41H2,1-6H3,(H2,69,77)(H,73,83)(H,74,89)(H,75,85)(H,76,84)(H,78,86)(H,79,82)(H3,70,71,88);17-24,32-33,35,37-38,44,46,51H,7-16,25-31,34,36H2,1-6H3,(H2,58,65)(H,62,72)(H,63,71)(H,64,76)(H,66,73)(H,67,70)(H3,59,60,75);2*17-22,28-30,32,35-36,45,49H,7-16,23-27,31,33-34H2,1-6H3,(H2,56,62)(H,60,69)(H,61,68)(H,63,70)(H,64,67)(H3,57,58,72)/t54-,58-;;46-,51-;45-,49-;/m0.00./s1
InChIKeyMCLZMNVHNXMXCP-MUFUWKOUSA-N
XLogP39.82
TPSA1457.49 Ų
H-Bond Donors40
H-Bond Acceptors60
Rotatable Bonds146
Heavy Atoms405
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005596.97
LogP ≤ 539.82
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1060

Analyze [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159526714
[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 138492256
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(heptanoylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-[2-iodoethyl(propyl)carbamoyl]-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate
CID 146474434
[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 138492311
[4-[[2-[3-(carbamoylamino)propyl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate
CID 159606325
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 166923008
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]ethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]ethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate
CID 160905543
[4-[[(2S)-5-[[5-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-methylphenyl]carbamoylamino]-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-(3-acetamido-2,2-difluoropropyl)carbamate
CID 139538244
[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[5-(2,5-dioxopyrrol-1-yl)pentanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]ethyl]carbamate
CID 140909397
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methyl]carbamate
CID 159657578
[4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[2-[[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidine-4-carbonyl]amino]ethyl]carbamate
CID 155397041
[4-[[5-(carbamoylamino)-2-[[2-(heptanoylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methyl]carbamate
CID 146327583

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate?
The IUPAC name of [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate (CID 159526710) is [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate.
What is the SMILES notation for [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate?
The canonical SMILES for [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3ccc(N4CCC(NC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)CC4)nc3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(C(=O)OCc3ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCC(F)(F)CNC(=O)OCc5ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc5)cc3)CC4)cc2N=C(N)C1.
What is the InChIKey of [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate?
The InChIKey is MCLZMNVHNXMXCP-MUFUWKOUSA-N. The full InChI is InChI=1S/2C66H89F2N13O9.C57H82N12O8.2C55H77N11O8/c2*1-7-29-81(30-8-2)63(87)49-32-47-23-24-48(34-55(47)77-56(69)35-49)60(84)76-52-33-50-38-80(31-27-53(50)72-36-52)37-44-17-21-46(22-18-44)59(83)73-40-66(67,68)41-74-65(89)90-39-45-19-25-51(26-20-45)75-61(85)54(15-13-28-71-64(70)88)78-62(86)58(43(5)6)79-57(82)16-12-10-9-11-14-42(3)4;1-7-28-69(29-8-2)55(74)42-32-40-19-20-41(33-47(40)65-48(58)34-42)52(71)63-45-23-24-49(61-35-45)68-30-25-44(26-31-68)64-57(76)77-36-39-17-21-43(22-18-39)62-53(72)46(15-13-27-60-56(59)75)66-54(73)51(38(5)6)67-50(70)16-12-10-9-11-14-37(3)4;2*1-7-25-65(26-8-2)53(71)40-28-38-19-20-39(30-46(38)62-47(56)31-40)50(68)61-43-29-41-33-66(27-23-44(41)59-32-43)55(73)74-34-37-17-21-42(22-18-37)60-51(69)45(15-13-24-58-54(57)72)63-52(70)49(36(5)6)64-48(67)16-12-10-9-11-14-35(3)4/h2*17-26,32-34,36,42-43,54,58H,7-16,27-31,35,37-41H2,1-6H3,(H2,69,77)(H,73,83)(H,74,89)(H,75,85)(H,76,84)(H,78,86)(H,79,82)(H3,70,71,88);17-24,32-33,35,37-38,44,46,51H,7-16,25-31,34,36H2,1-6H3,(H2,58,65)(H,62,72)(H,63,71)(H,64,76)(H,66,73)(H,67,70)(H3,59,60,75);2*17-22,28-30,32,35-36,45,49H,7-16,23-27,31,33-34H2,1-6H3,(H2,56,62)(H,60,69)(H,61,68)(H,63,70)(H,64,67)(H3,57,58,72)/t54-,58-;;46-,51-;45-,49-;/m0.00./s1.
What are the key properties of [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate?
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 5596.97 g/mol, XLogP of 39.82, 146 rotatable bonds, 40 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl 3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[3-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]-2,2-difluoropropyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 159526710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).