[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

C299H413N61O45 — CID 157246371

IUPAC[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=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)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1
InChIInChI=1S/C65H89N13O9.2C62H84N12O9.2C55H78N12O9/c1-7-31-78(32-8-2)63(84)49-34-47-23-24-48(36-55(47)74-56(66)37-49)60(81)73-52-35-50-40-77(33-27-53(50)71-38-52)39-44-17-21-46(22-18-44)59(80)68-29-30-70-65(86)87-41-45-19-25-51(26-20-45)72-61(82)54(15-13-28-69-64(67)85)75-62(83)58(43(5)6)76-57(79)16-12-10-9-11-14-42(3)4;2*1-7-29-74(30-8-2)60(80)47-33-45-24-25-46(34-51(45)70-53(63)35-47)56(76)69-49-31-44(36-65-38-49)37-67-57(77)52(32-42-18-13-11-14-19-42)72-62(82)83-39-43-22-26-48(27-23-43)68-58(78)50(20-16-28-66-61(64)81)71-59(79)55(41(5)6)73-54(75)21-15-10-9-12-17-40(3)4;2*1-7-24-67(25-8-2)53(73)41-27-39-19-20-40(28-45(39)64-46(56)29-41)50(70)63-43-26-38(30-58-32-43)31-60-48(69)33-61-55(75)76-34-37-17-21-42(22-18-37)62-51(71)44(15-13-23-59-54(57)74)65-52(72)49(36(5)6)66-47(68)16-12-10-9-11-14-35(3)4/h17-26,34-36,38,42-43,54,58H,7-16,27-33,37,39-41H2,1-6H3,(H2,66,74)(H,68,80)(H,70,86)(H,72,82)(H,73,81)(H,75,83)(H,76,79)(H3,67,69,85);2*11,13-14,18-19,22-27,31,33-34,36,38,40-41,50,52,55H,7-10,12,15-17,20-21,28-30,32,35,37,39H2,1-6H3,(H2,63,70)(H,67,77)(H,68,78)(H,69,76)(H,71,79)(H,72,82)(H,73,75)(H3,64,66,81);2*17-22,26-28,30,32,35-36,44,49H,7-16,23-25,29,31,33-34H2,1-6H3,(H2,56,64)(H,60,69)(H,61,75)(H,62,71)(H,63,70)(H,65,72)(H,66,68)(H3,57,59,74)/t;50-,52?,55-;;44-,49-;/m.0.0./s1
InChIKeyAVUXSDKNRVJLMM-FIFSDBNCSA-N
MW5581.98 g/mol
LogP36.44
Rot. Bonds156

About [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 157246371) has the molecular formula C299H413N61O45 and a molecular weight of 5581.98 g/mol. Its IUPAC name is [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID157246371
Molecular FormulaC299H413N61O45
Molecular Weight5581.98 g/mol
Exact Mass5578.19
IUPAC Name[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=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)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1
InChIInChI=1S/C65H89N13O9.2C62H84N12O9.2C55H78N12O9/c1-7-31-78(32-8-2)63(84)49-34-47-23-24-48(36-55(47)74-56(66)37-49)60(81)73-52-35-50-40-77(33-27-53(50)71-38-52)39-44-17-21-46(22-18-44)59(80)68-29-30-70-65(86)87-41-45-19-25-51(26-20-45)72-61(82)54(15-13-28-69-64(67)85)75-62(83)58(43(5)6)76-57(79)16-12-10-9-11-14-42(3)4;2*1-7-29-74(30-8-2)60(80)47-33-45-24-25-46(34-51(45)70-53(63)35-47)56(76)69-49-31-44(36-65-38-49)37-67-57(77)52(32-42-18-13-11-14-19-42)72-62(82)83-39-43-22-26-48(27-23-43)68-58(78)50(20-16-28-66-61(64)81)71-59(79)55(41(5)6)73-54(75)21-15-10-9-12-17-40(3)4;2*1-7-24-67(25-8-2)53(73)41-27-39-19-20-40(28-45(39)64-46(56)29-41)50(70)63-43-26-38(30-58-32-43)31-60-48(69)33-61-55(75)76-34-37-17-21-42(22-18-37)62-51(71)44(15-13-23-59-54(57)74)65-52(72)49(36(5)6)66-47(68)16-12-10-9-11-14-35(3)4/h17-26,34-36,38,42-43,54,58H,7-16,27-33,37,39-41H2,1-6H3,(H2,66,74)(H,68,80)(H,70,86)(H,72,82)(H,73,81)(H,75,83)(H,76,79)(H3,67,69,85);2*11,13-14,18-19,22-27,31,33-34,36,38,40-41,50,52,55H,7-10,12,15-17,20-21,28-30,32,35,37,39H2,1-6H3,(H2,63,70)(H,67,77)(H,68,78)(H,69,76)(H,71,79)(H,72,82)(H,73,75)(H3,64,66,81);2*17-22,26-28,30,32,35-36,44,49H,7-16,23-25,29,31,33-34H2,1-6H3,(H2,56,64)(H,60,69)(H,61,75)(H,62,71)(H,63,70)(H,65,72)(H,66,68)(H3,57,59,74)/t;50-,52?,55-;;44-,49-;/m.0.0./s1
InChIKeyAVUXSDKNRVJLMM-FIFSDBNCSA-N
XLogP36.44
TPSA1555.89 Ų
H-Bond Donors45
H-Bond Acceptors61
Rotatable Bonds156
Heavy Atoms405
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005581.98
LogP ≤ 536.44
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1061

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

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What is the IUPAC name of [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 157246371) is [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cnc4c(c3)CN(Cc3ccc(C(=O)NCCNC(=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)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)C(Cc4ccccc4)NC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)C(CCCNC(N)=O)NC(=O)C(NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(C(=O)Nc3cncc(CNC(=O)CNC(=O)OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCCC(C)C)C(C)C)cc4)c3)cc2N=C(N)C1.
What is the InChIKey of [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is AVUXSDKNRVJLMM-FIFSDBNCSA-N. The full InChI is InChI=1S/C65H89N13O9.2C62H84N12O9.2C55H78N12O9/c1-7-31-78(32-8-2)63(84)49-34-47-23-24-48(36-55(47)74-56(66)37-49)60(81)73-52-35-50-40-77(33-27-53(50)71-38-52)39-44-17-21-46(22-18-44)59(80)68-29-30-70-65(86)87-41-45-19-25-51(26-20-45)72-61(82)54(15-13-28-69-64(67)85)75-62(83)58(43(5)6)76-57(79)16-12-10-9-11-14-42(3)4;2*1-7-29-74(30-8-2)60(80)47-33-45-24-25-46(34-51(45)70-53(63)35-47)56(76)69-49-31-44(36-65-38-49)37-67-57(77)52(32-42-18-13-11-14-19-42)72-62(82)83-39-43-22-26-48(27-23-43)68-58(78)50(20-16-28-66-61(64)81)71-59(79)55(41(5)6)73-54(75)21-15-10-9-12-17-40(3)4;2*1-7-24-67(25-8-2)53(73)41-27-39-19-20-40(28-45(39)64-46(56)29-41)50(70)63-43-26-38(30-58-32-43)31-60-48(69)33-61-55(75)76-34-37-17-21-42(22-18-37)62-51(71)44(15-13-23-59-54(57)74)65-52(72)49(36(5)6)66-47(68)16-12-10-9-11-14-35(3)4/h17-26,34-36,38,42-43,54,58H,7-16,27-33,37,39-41H2,1-6H3,(H2,66,74)(H,68,80)(H,70,86)(H,72,82)(H,73,81)(H,75,83)(H,76,79)(H3,67,69,85);2*11,13-14,18-19,22-27,31,33-34,36,38,40-41,50,52,55H,7-10,12,15-17,20-21,28-30,32,35,37,39H2,1-6H3,(H2,63,70)(H,67,77)(H,68,78)(H,69,76)(H,71,79)(H,72,82)(H,73,75)(H3,64,66,81);2*17-22,26-28,30,32,35-36,44,49H,7-16,23-25,29,31,33-34H2,1-6H3,(H2,56,64)(H,60,69)(H,61,75)(H,62,71)(H,63,70)(H,65,72)(H,66,68)(H3,57,59,74)/t;50-,52?,55-;;44-,49-;/m.0.0./s1.
What are the key properties of [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate?
[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 5581.98 g/mol, XLogP of 36.44, 156 rotatable bonds, 45 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[4-[[3-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]benzoyl]amino]ethyl]carbamate;[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[2-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-2-oxoethyl]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]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate;[4-[[5-(carbamoylamino)-2-[[3-methyl-2-(8-methylnonanoylamino)butanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 157246371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).