(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

C211H221N23O28 — CID 158848395

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)N3CCC[C@H]3C(=O)Nc3ccc(/C=C/c4ccc(NC(=O)[C@@H]5CCCN5C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1.COc1ccc2c(c1)C(CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4c[nH]c5ccc(OC)cc45)cc3)cc1)=CC2.COc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccc(OC)c4)cc3)cc2)c1.COc1cccc(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CCc4cccc(OC)c4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C48H50N6O6.C47H47N5O6.C44H48N4O6.C40H40N4O6.C32H36N4O4/c1-29-37(39-25-35(59-3)19-21-41(39)49-29)27-45(55)53-23-5-7-43(53)47(57)51-33-15-11-31(12-16-33)9-10-32-13-17-34(18-14-32)52-48(58)44-8-6-24-54(44)46(56)28-38-30(2)50-42-22-20-36(60-4)26-40(38)42;1-57-37-20-15-32-13-14-33(39(32)27-37)25-44(53)51-23-3-5-42(51)46(55)49-35-16-9-30(10-17-35)7-8-31-11-18-36(19-12-31)50-47(56)43-6-4-24-52(43)45(54)26-34-29-48-41-22-21-38(58-2)28-40(34)41;1-53-37-9-3-7-33(29-37)19-25-41(49)47-27-5-11-39(47)43(51)45-35-21-15-31(16-22-35)13-14-32-17-23-36(24-18-32)46-44(52)40-12-6-28-48(40)42(50)26-20-34-8-4-10-38(30-34)54-2;1-49-33-9-3-7-29(25-33)39(47)43-23-5-11-35(43)37(45)41-31-19-15-27(16-20-31)13-14-28-17-21-32(22-18-28)42-38(46)36-12-6-24-44(36)40(48)30-8-4-10-34(26-30)50-2;37-29(27-3-1-19-35(27)31(39)23-11-12-23)33-25-15-7-21(8-16-25)5-6-22-9-17-26(18-10-22)34-30(38)28-4-2-20-36(28)32(40)24-13-14-24/h9-22,25-26,43-44,49-50H,5-8,23-24,27-28H2,1-4H3,(H,51,57)(H,52,58);7-12,14-22,27-29,42-43,48H,3-6,13,23-26H2,1-2H3,(H,49,55)(H,50,56);3-4,7-10,13-18,21-24,29-30,39-40H,5-6,11-12,19-20,25-28H2,1-2H3,(H,45,51)(H,46,52);3-4,7-10,13-22,25-26,35-36H,5-6,11-12,23-24H2,1-2H3,(H,41,45)(H,42,46);5-10,15-18,23-24,27-28H,1-4,11-14,19-20H2,(H,33,37)(H,34,38)/b10-9+;8-7+;2*14-13+;6-5+/t43-,44-;42-,43-;39-,40-;35-,36-;27-,28-/m00000/s1
InChIKeyIZDCANWSKJZGRI-VEKYEDLFSA-N
MW3527.22 g/mol
LogP33.18
Rot. Bonds56

About (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 158848395) has the molecular formula C211H221N23O28 and a molecular weight of 3527.22 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID158848395
Molecular FormulaC211H221N23O28
Molecular Weight3527.22 g/mol
Exact Mass3524.66
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2[nH]c(C)c(CC(=O)N3CCC[C@H]3C(=O)Nc3ccc(/C=C/c4ccc(NC(=O)[C@@H]5CCCN5C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1.COc1ccc2c(c1)C(CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4c[nH]c5ccc(OC)cc45)cc3)cc1)=CC2.COc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccc(OC)c4)cc3)cc2)c1.COc1cccc(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CCc4cccc(OC)c4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C48H50N6O6.C47H47N5O6.C44H48N4O6.C40H40N4O6.C32H36N4O4/c1-29-37(39-25-35(59-3)19-21-41(39)49-29)27-45(55)53-23-5-7-43(53)47(57)51-33-15-11-31(12-16-33)9-10-32-13-17-34(18-14-32)52-48(58)44-8-6-24-54(44)46(56)28-38-30(2)50-42-22-20-36(60-4)26-40(38)42;1-57-37-20-15-32-13-14-33(39(32)27-37)25-44(53)51-23-3-5-42(51)46(55)49-35-16-9-30(10-17-35)7-8-31-11-18-36(19-12-31)50-47(56)43-6-4-24-52(43)45(54)26-34-29-48-41-22-21-38(58-2)28-40(34)41;1-53-37-9-3-7-33(29-37)19-25-41(49)47-27-5-11-39(47)43(51)45-35-21-15-31(16-22-35)13-14-32-17-23-36(24-18-32)46-44(52)40-12-6-28-48(40)42(50)26-20-34-8-4-10-38(30-34)54-2;1-49-33-9-3-7-29(25-33)39(47)43-23-5-11-35(43)37(45)41-31-19-15-27(16-20-31)13-14-28-17-21-32(22-18-28)42-38(46)36-12-6-24-44(36)40(48)30-8-4-10-34(26-30)50-2;37-29(27-3-1-19-35(27)31(39)23-11-12-23)33-25-15-7-21(8-16-25)5-6-22-9-17-26(18-10-22)34-30(38)28-4-2-20-36(28)32(40)24-13-14-24/h9-22,25-26,43-44,49-50H,5-8,23-24,27-28H2,1-4H3,(H,51,57)(H,52,58);7-12,14-22,27-29,42-43,48H,3-6,13,23-26H2,1-2H3,(H,49,55)(H,50,56);3-4,7-10,13-18,21-24,29-30,39-40H,5-6,11-12,19-20,25-28H2,1-2H3,(H,45,51)(H,46,52);3-4,7-10,13-22,25-26,35-36H,5-6,11-12,23-24H2,1-2H3,(H,41,45)(H,42,46);5-10,15-18,23-24,27-28H,1-4,11-14,19-20H2,(H,33,37)(H,34,38)/b10-9+;8-7+;2*14-13+;6-5+/t43-,44-;42-,43-;39-,40-;35-,36-;27-,28-/m00000/s1
InChIKeyIZDCANWSKJZGRI-VEKYEDLFSA-N
XLogP33.18
TPSA615.31 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds56
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003527.22
LogP ≤ 533.18
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(6S)-6-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 122600567
(6S)-6-benzyl-1-(1H-indol-4-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600578
(6S)-6-benzyl-1-[(1-cyclopropylindol-6-yl)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600913
(6S)-6-benzyl-1-(1H-indol-3-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600917
(2S)-2-[[4-[[4-[2-[2-[2-[2-[[4-[4-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129908993
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162672081
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162652136
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 162652709
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162654695
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162659881
(3S)-3-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-3-carboxy-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-4-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxobutanoic acid
CID 162662277
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162662856

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (CID 158848395) is (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is COc1ccc2[nH]c(C)c(CC(=O)N3CCC[C@H]3C(=O)Nc3ccc(/C=C/c4ccc(NC(=O)[C@@H]5CCCN5C(=O)Cc5c(C)[nH]c6ccc(OC)cc56)cc4)cc3)c2c1.COc1ccc2c(c1)C(CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4c[nH]c5ccc(OC)cc45)cc3)cc1)=CC2.COc1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccc(OC)c4)cc3)cc2)c1.COc1cccc(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)CCc4cccc(OC)c4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)cc1)[C@@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is IZDCANWSKJZGRI-VEKYEDLFSA-N. The full InChI is InChI=1S/C48H50N6O6.C47H47N5O6.C44H48N4O6.C40H40N4O6.C32H36N4O4/c1-29-37(39-25-35(59-3)19-21-41(39)49-29)27-45(55)53-23-5-7-43(53)47(57)51-33-15-11-31(12-16-33)9-10-32-13-17-34(18-14-32)52-48(58)44-8-6-24-54(44)46(56)28-38-30(2)50-42-22-20-36(60-4)26-40(38)42;1-57-37-20-15-32-13-14-33(39(32)27-37)25-44(53)51-23-3-5-42(51)46(55)49-35-16-9-30(10-17-35)7-8-31-11-18-36(19-12-31)50-47(56)43-6-4-24-52(43)45(54)26-34-29-48-41-22-21-38(58-2)28-40(34)41;1-53-37-9-3-7-33(29-37)19-25-41(49)47-27-5-11-39(47)43(51)45-35-21-15-31(16-22-35)13-14-32-17-23-36(24-18-32)46-44(52)40-12-6-28-48(40)42(50)26-20-34-8-4-10-38(30-34)54-2;1-49-33-9-3-7-29(25-33)39(47)43-23-5-11-35(43)37(45)41-31-19-15-27(16-20-31)13-14-28-17-21-32(22-18-28)42-38(46)36-12-6-24-44(36)40(48)30-8-4-10-34(26-30)50-2;37-29(27-3-1-19-35(27)31(39)23-11-12-23)33-25-15-7-21(8-16-25)5-6-22-9-17-26(18-10-22)34-30(38)28-4-2-20-36(28)32(40)24-13-14-24/h9-22,25-26,43-44,49-50H,5-8,23-24,27-28H2,1-4H3,(H,51,57)(H,52,58);7-12,14-22,27-29,42-43,48H,3-6,13,23-26H2,1-2H3,(H,49,55)(H,50,56);3-4,7-10,13-18,21-24,29-30,39-40H,5-6,11-12,19-20,25-28H2,1-2H3,(H,45,51)(H,46,52);3-4,7-10,13-22,25-26,35-36H,5-6,11-12,23-24H2,1-2H3,(H,41,45)(H,42,46);5-10,15-18,23-24,27-28H,1-4,11-14,19-20H2,(H,33,37)(H,34,38)/b10-9+;8-7+;2*14-13+;6-5+/t43-,44-;42-,43-;39-,40-;35-,36-;27-,28-/m00000/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 3527.22 g/mol, XLogP of 33.18, 56 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methoxybenzoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(6-methoxy-3H-inden-1-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-[3-(3-methoxyphenyl)propanoyl]-N-[4-[(E)-2-[4-[[(2S)-1-[3-(3-methoxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158848395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).