(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide

C188H270N36O52 — CID 158400390

IUPAC(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](C(=O)NCC(N)=O)C(C)C)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@](C)(CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N(C)CC(=O)N[C@H](C(=O)NCC(N)=O)c2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C49H72N8O13.C48H70N8O13.C47H68N8O13.C44H60N12O13/c1-6-28(4)44-39(62)19-30(9-15-40(50)63)45(67)55-37(21-41(51)64)38(61)20-32(24-53-43(66)16-14-35(59)18-31(46(68)56-44)17-29-7-12-34(58)13-8-29)47(69)57(33-10-11-33)26-36(60)23-49(5,22-27(2)3)48(70)54-25-42(52)65;1-5-27(4)44-39(61)20-29(8-14-40(49)62)46(67)54-37(22-41(50)63)38(60)21-32(23-52-43(65)15-13-35(58)18-31(47(68)55-44)17-28-6-11-34(57)12-7-28)48(69)56(33-9-10-33)25-36(59)19-30(16-26(2)3)45(66)53-24-42(51)64;1-5-26(4)43-38(60)18-28(8-14-39(48)61)44(65)53-36(21-40(49)62)37(59)19-30(47(68)55(31-9-10-31)24-34(58)20-35(25(2)3)46(67)52-23-41(50)63)22-51-42(64)15-13-33(57)17-29(45(66)54-43)16-27-6-11-32(56)12-7-27;1-4-23(2)37-43(68)51-27(14-15-31(45)58)39(64)52-29(19-32(46)59)40(65)53-30(20-48-34(61)16-17-35(62)50-28(41(66)55-37)18-24-10-12-26(57)13-11-24)44(69)56(3)22-36(63)54-38(25-8-6-5-7-9-25)42(67)49-21-33(47)60/h7-8,12-13,27-28,30-33,37,44,58H,6,9-11,14-26H2,1-5H3,(H2,50,63)(H2,51,64)(H2,52,65)(H,53,66)(H,54,70)(H,55,67)(H,56,68);6-7,11-12,26-27,29-33,37,44,57H,5,8-10,13-25H2,1-4H3,(H2,49,62)(H2,50,63)(H2,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,68);6-7,11-12,25-26,28-31,35-36,43,56H,5,8-10,13-24H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,51,64)(H,52,67)(H,53,65)(H,54,66);5-13,23,27-30,37-38,57H,4,14-22H2,1-3H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,61)(H,49,67)(H,50,62)(H,51,68)(H,52,64)(H,53,65)(H,54,63)(H,55,66)/t28-,30+,31+,32-,37-,44-,49-;27-,29+,30+,31+,32-,37-,44-;26-,28+,29+,30-,35+,36-,43-;23-,27-,28-,29-,30-,37-,38-/m0000/s1
InChIKeyGYAMOVGFMSYEFY-SMCNNPQLSA-N
MW3866.43 g/mol
LogP-4.80
Rot. Bonds76

About (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide

(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide (PubChem CID 158400390) has the molecular formula C188H270N36O52 and a molecular weight of 3866.43 g/mol. Its IUPAC name is (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide.

Molecular Properties

Compound Name(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide
PubChem CID158400390
Molecular FormulaC188H270N36O52
Molecular Weight3866.43 g/mol
Exact Mass3863.96
IUPAC Name(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](C(=O)NCC(N)=O)C(C)C)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@](C)(CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N(C)CC(=O)N[C@H](C(=O)NCC(N)=O)c2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChIInChI=1S/C49H72N8O13.C48H70N8O13.C47H68N8O13.C44H60N12O13/c1-6-28(4)44-39(62)19-30(9-15-40(50)63)45(67)55-37(21-41(51)64)38(61)20-32(24-53-43(66)16-14-35(59)18-31(46(68)56-44)17-29-7-12-34(58)13-8-29)47(69)57(33-10-11-33)26-36(60)23-49(5,22-27(2)3)48(70)54-25-42(52)65;1-5-27(4)44-39(61)20-29(8-14-40(49)62)46(67)54-37(22-41(50)63)38(60)21-32(23-52-43(65)15-13-35(58)18-31(47(68)55-44)17-28-6-11-34(57)12-7-28)48(69)56(33-9-10-33)25-36(59)19-30(16-26(2)3)45(66)53-24-42(51)64;1-5-26(4)43-38(60)18-28(8-14-39(48)61)44(65)53-36(21-40(49)62)37(59)19-30(47(68)55(31-9-10-31)24-34(58)20-35(25(2)3)46(67)52-23-41(50)63)22-51-42(64)15-13-33(57)17-29(45(66)54-43)16-27-6-11-32(56)12-7-27;1-4-23(2)37-43(68)51-27(14-15-31(45)58)39(64)52-29(19-32(46)59)40(65)53-30(20-48-34(61)16-17-35(62)50-28(41(66)55-37)18-24-10-12-26(57)13-11-24)44(69)56(3)22-36(63)54-38(25-8-6-5-7-9-25)42(67)49-21-33(47)60/h7-8,12-13,27-28,30-33,37,44,58H,6,9-11,14-26H2,1-5H3,(H2,50,63)(H2,51,64)(H2,52,65)(H,53,66)(H,54,70)(H,55,67)(H,56,68);6-7,11-12,26-27,29-33,37,44,57H,5,8-10,13-25H2,1-4H3,(H2,49,62)(H2,50,63)(H2,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,68);6-7,11-12,25-26,28-31,35-36,43,56H,5,8-10,13-24H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,51,64)(H,52,67)(H,53,65)(H,54,66);5-13,23,27-30,37-38,57H,4,14-22H2,1-3H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,61)(H,49,67)(H,50,62)(H,51,68)(H,52,64)(H,53,65)(H,54,63)(H,55,66)/t28-,30+,31+,32-,37-,44-,49-;27-,29+,30+,31+,32-,37-,44-;26-,28+,29+,30-,35+,36-,43-;23-,27-,28-,29-,30-,37-,38-/m0000/s1
InChIKeyGYAMOVGFMSYEFY-SMCNNPQLSA-N
XLogP-4.80
TPSA1466.08 Ų
H-Bond Donors36
H-Bond Acceptors52
Rotatable Bonds76
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003866.43
LogP ≤ 5-4.80
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1052

Analyze (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,6S,9R,17R,20S)-20-(2-amino-2-oxoethyl)-N-[(4S,5S)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-hydroxy-2-oxohexyl]-3-(3-amino-3-oxopropyl)-6-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-N-methyl-2,5,8,11,14,19-hexaoxo-1,7,13-triazacycloicosane-17-carboxamide
CID 158065902
(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide
CID 126705666
(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2R,3S)-1-[(2-amino-2-oxoethyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide
CID 118566132
(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(2R,3R)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide
CID 126705664
(3R,6S,9R,17R,20S)-20-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-2-oxododecyl]-3-(3-amino-3-oxopropyl)-6-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-N-methyl-2,5,8,11,14,19-hexaoxo-1,7,13-triazacycloicosane-17-carboxamide;(3S,6S,9R,17R,20S)-20-(2-amino-2-oxoethyl)-6-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-N-methyl-N-[(4R)-6-methyl-2-oxo-4-(2-oxopropylcarbamoyl)heptyl]-2,5,8,11,14,19-hexaoxo-3-propan-2-yl-1,7,13-triazacycloicosane-17-carboxamide
CID 160844329
(5S,11S,14S,17S)-14-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 135292617
14-(2-amino-2-oxoethyl)-N-[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 123712144
(5S,11S,14S,17S)-14-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 135292651
(5S,11S,14S,17S)-14-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 135292600
(4S,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-N-[2-[[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-N-methyl-1,6,9,12,15,18-hexaoxo-1λ4-thia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;hydrate
CID 159702995
14-(2-amino-2-oxoethyl)-N-[2-[[1-[(2-amino-2-oxoethyl)amino]-1-oxodecan-2-yl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 123144593
(5S,11S,14S,17S)-14-(2-amino-2-oxoethyl)-N-[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-11-(3-amino-3-oxopropyl)-8-butan-2-yl-5-[(4-hydroxyphenyl)methyl]-N-methyl-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carboxamide
CID 135292703

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide?
The IUPAC name of (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide (CID 158400390) is (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide.
What is the SMILES notation for (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide?
The canonical SMILES for (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide is CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](C(=O)NCC(N)=O)C(C)C)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)CC(=O)CCC(=O)NC[C@@H](C(=O)N(CC(=O)C[C@](C)(CC(C)C)C(=O)NCC(N)=O)C2CC2)CC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)CC1=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCC(=O)NC[C@@H](C(=O)N(C)CC(=O)N[C@H](C(=O)NCC(N)=O)c2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O.
What is the InChIKey of (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide?
The InChIKey is GYAMOVGFMSYEFY-SMCNNPQLSA-N. The full InChI is InChI=1S/C49H72N8O13.C48H70N8O13.C47H68N8O13.C44H60N12O13/c1-6-28(4)44-39(62)19-30(9-15-40(50)63)45(67)55-37(21-41(51)64)38(61)20-32(24-53-43(66)16-14-35(59)18-31(46(68)56-44)17-29-7-12-34(58)13-8-29)47(69)57(33-10-11-33)26-36(60)23-49(5,22-27(2)3)48(70)54-25-42(52)65;1-5-27(4)44-39(61)20-29(8-14-40(49)62)46(67)54-37(22-41(50)63)38(60)21-32(23-52-43(65)15-13-35(58)18-31(47(68)55-44)17-28-6-11-34(57)12-7-28)48(69)56(33-9-10-33)25-36(59)19-30(16-26(2)3)45(66)53-24-42(51)64;1-5-26(4)43-38(60)18-28(8-14-39(48)61)44(65)53-36(21-40(49)62)37(59)19-30(47(68)55(31-9-10-31)24-34(58)20-35(25(2)3)46(67)52-23-41(50)63)22-51-42(64)15-13-33(57)17-29(45(66)54-43)16-27-6-11-32(56)12-7-27;1-4-23(2)37-43(68)51-27(14-15-31(45)58)39(64)52-29(19-32(46)59)40(65)53-30(20-48-34(61)16-17-35(62)50-28(41(66)55-37)18-24-10-12-26(57)13-11-24)44(69)56(3)22-36(63)54-38(25-8-6-5-7-9-25)42(67)49-21-33(47)60/h7-8,12-13,27-28,30-33,37,44,58H,6,9-11,14-26H2,1-5H3,(H2,50,63)(H2,51,64)(H2,52,65)(H,53,66)(H,54,70)(H,55,67)(H,56,68);6-7,11-12,26-27,29-33,37,44,57H,5,8-10,13-25H2,1-4H3,(H2,49,62)(H2,50,63)(H2,51,64)(H,52,65)(H,53,66)(H,54,67)(H,55,68);6-7,11-12,25-26,28-31,35-36,43,56H,5,8-10,13-24H2,1-4H3,(H2,48,61)(H2,49,62)(H2,50,63)(H,51,64)(H,52,67)(H,53,65)(H,54,66);5-13,23,27-30,37-38,57H,4,14-22H2,1-3H3,(H2,45,58)(H2,46,59)(H2,47,60)(H,48,61)(H,49,67)(H,50,62)(H,51,68)(H,52,64)(H,53,65)(H,54,63)(H,55,66)/t28-,30+,31+,32-,37-,44-,49-;27-,29+,30+,31+,32-,37-,44-;26-,28+,29+,30-,35+,36-,43-;23-,27-,28-,29-,30-,37-,38-/m0000/s1.
What are the key properties of (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide?
(3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide has a molecular weight of 3866.43 g/mol, XLogP of -4.80, 76 rotatable bonds, 36 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-N-[2-[[(1S)-2-[(2-amino-2-oxoethyl)amino]-2-oxo-1-phenylethyl]amino]-2-oxoethyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-hydroxyphenyl)methyl]-N-methyl-5,8,11,14,17,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4S)-4-[(2-amino-2-oxoethyl)carbamoyl]-4,6-dimethyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-6-methyl-2-oxoheptyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide;(3S,6S,9R,12S,15R)-6-(2-amino-2-oxoethyl)-N-[(4R)-4-[(2-amino-2-oxoethyl)carbamoyl]-5-methyl-2-oxohexyl]-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-N-cyclopropyl-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20-hexaoxo-1,7,13-triazacycloicosane-3-carboxamide is sourced from PubChem (CID 158400390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).