(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid

C261H255Cl17N38O44 — CID 167609653

IUPAC(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
SMILESCc1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c2Cl)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N(C)Cc3ccccc3)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)NC3CCC(C)(C)c4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]2CCc3ccccc32)C(=O)O)c1Cl.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(NCCCc2ccccc2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(Nc2ncc3ccccc3n2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1ccc(C(=O)NCc2ccccc2O)cc1Cl)C(=O)O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C32H34Cl2N4O5.4C29H28Cl2N4O5.C29H30Cl2N4O4.C28H24Cl2N6O4.C28H28Cl2N4O5.C28H27ClN4O6/c1-18-7-6-8-19(13-18)16-35-28(39)20-14-23(33)27(24(34)15-20)29(40)37-26(30(41)42)17-36-31(43)38-25-11-12-32(2,3)22-10-5-4-9-21(22)25;1-16-5-4-6-17(13-16)14-24(36)33-22-12-10-20(30)25(26(22)31)27(37)34-23(28(38)39)15-32-29(40)35-21-11-9-18-7-2-3-8-19(18)21;2*1-16-5-4-6-17(11-16)14-32-26(36)19-12-21(30)25(22(31)13-19)27(37)34-24(28(38)39)15-33-29(40)35-23-10-9-18-7-2-3-8-20(18)23;30-20-12-14-22(33-24(36)15-10-17-6-2-1-3-7-17)26(31)25(20)27(37)34-23(28(38)39)16-32-29(40)35-21-13-11-18-8-4-5-9-19(18)21;30-21-13-15-23(32-16-6-9-18-7-2-1-3-8-18)26(31)25(21)27(36)34-24(28(37)38)17-33-29(39)35-22-14-12-19-10-4-5-11-20(19)22;29-18-10-12-21(35-27-31-13-16-6-2-4-8-19(16)34-27)24(30)23(18)25(37)33-22(26(38)39)14-32-28(40)36-20-11-9-15-5-1-3-7-17(15)20;1-17-7-6-10-19(11-17)14-31-25(35)20-12-21(29)24(22(30)13-20)26(36)33-23(27(37)38)15-32-28(39)34(2)16-18-8-4-3-5-9-18;29-21-13-17(25(35)30-14-18-6-2-4-8-24(18)34)9-11-20(21)26(36)32-23(27(37)38)15-31-28(39)33-22-12-10-16-5-1-3-7-19(16)22/h4-10,13-15,25-26H,11-12,16-17H2,1-3H3,(H,35,39)(H,37,40)(H,41,42)(H2,36,38,43);2-8,10,12-13,21,23H,9,11,14-15H2,1H3,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);2*2-8,11-13,23-24H,9-10,14-15H2,1H3,(H,32,36)(H,34,37)(H,38,39)(H2,33,35,40);1-9,12,14,21,23H,10-11,13,15-16H2,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);1-5,7-8,10-11,13,15,22,24,32H,6,9,12,14,16-17H2,(H,34,36)(H,37,38)(H2,33,35,39);1-8,10,12-13,20,22H,9,11,14H2,(H,33,37)(H,38,39)(H,31,34,35)(H2,32,36,40);3-13,23H,14-16H2,1-2H3,(H,31,35)(H,32,39)(H,33,36)(H,37,38);1-9,11,13,22-23,34H,10,12,14-15H2,(H,30,35)(H,32,36)(H,37,38)(H2,31,33,39)/t25?,26-;21-,23+;2*23-,24+;21-,23+;22-,24+;20-,22+;23-;22-,23+/m011111101/s1
InChIKeyKWAVICVSZYWZNO-GBQWDYOQSA-N
MW5230.83 g/mol
LogP41.18
Rot. Bonds84

About (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid

(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid (PubChem CID 167609653) has the molecular formula C261H255Cl17N38O44 and a molecular weight of 5230.83 g/mol. Its IUPAC name is (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
PubChem CID167609653
Molecular FormulaC261H255Cl17N38O44
Molecular Weight5230.83 g/mol
Exact Mass5219.36
IUPAC Name(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
SMILESCc1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c2Cl)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N(C)Cc3ccccc3)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)NC3CCC(C)(C)c4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]2CCc3ccccc32)C(=O)O)c1Cl.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(NCCCc2ccccc2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(Nc2ncc3ccccc3n2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1ccc(C(=O)NCc2ccccc2O)cc1Cl)C(=O)O)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C32H34Cl2N4O5.4C29H28Cl2N4O5.C29H30Cl2N4O4.C28H24Cl2N6O4.C28H28Cl2N4O5.C28H27ClN4O6/c1-18-7-6-8-19(13-18)16-35-28(39)20-14-23(33)27(24(34)15-20)29(40)37-26(30(41)42)17-36-31(43)38-25-11-12-32(2,3)22-10-5-4-9-21(22)25;1-16-5-4-6-17(13-16)14-24(36)33-22-12-10-20(30)25(26(22)31)27(37)34-23(28(38)39)15-32-29(40)35-21-11-9-18-7-2-3-8-19(18)21;2*1-16-5-4-6-17(11-16)14-32-26(36)19-12-21(30)25(22(31)13-19)27(37)34-24(28(38)39)15-33-29(40)35-23-10-9-18-7-2-3-8-20(18)23;30-20-12-14-22(33-24(36)15-10-17-6-2-1-3-7-17)26(31)25(20)27(37)34-23(28(38)39)16-32-29(40)35-21-13-11-18-8-4-5-9-19(18)21;30-21-13-15-23(32-16-6-9-18-7-2-1-3-8-18)26(31)25(21)27(36)34-24(28(37)38)17-33-29(39)35-22-14-12-19-10-4-5-11-20(19)22;29-18-10-12-21(35-27-31-13-16-6-2-4-8-19(16)34-27)24(30)23(18)25(37)33-22(26(38)39)14-32-28(40)36-20-11-9-15-5-1-3-7-17(15)20;1-17-7-6-10-19(11-17)14-31-25(35)20-12-21(29)24(22(30)13-20)26(36)33-23(27(37)38)15-32-28(39)34(2)16-18-8-4-3-5-9-18;29-21-13-17(25(35)30-14-18-6-2-4-8-24(18)34)9-11-20(21)26(36)32-23(27(37)38)15-31-28(39)33-22-12-10-16-5-1-3-7-19(16)22/h4-10,13-15,25-26H,11-12,16-17H2,1-3H3,(H,35,39)(H,37,40)(H,41,42)(H2,36,38,43);2-8,10,12-13,21,23H,9,11,14-15H2,1H3,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);2*2-8,11-13,23-24H,9-10,14-15H2,1H3,(H,32,36)(H,34,37)(H,38,39)(H2,33,35,40);1-9,12,14,21,23H,10-11,13,15-16H2,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);1-5,7-8,10-11,13,15,22,24,32H,6,9,12,14,16-17H2,(H,34,36)(H,37,38)(H2,33,35,39);1-8,10,12-13,20,22H,9,11,14H2,(H,33,37)(H,38,39)(H,31,34,35)(H2,32,36,40);3-13,23H,14-16H2,1-2H3,(H,31,35)(H,32,39)(H,33,36)(H,37,38);1-9,11,13,22-23,34H,10,12,14-15H2,(H,30,35)(H,32,36)(H,37,38)(H2,31,33,39)/t25?,26-;21-,23+;2*23-,24+;21-,23+;22-,24+;20-,22+;23-;22-,23+/m011111101/s1
InChIKeyKWAVICVSZYWZNO-GBQWDYOQSA-N
XLogP41.18
TPSA1232.75 Ų
H-Bond Donors45
H-Bond Acceptors39
Rotatable Bonds84
Heavy Atoms360
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005230.83
LogP ≤ 541.18
H-Bond Donors ≤ 545
H-Bond Acceptors ≤ 1039

Analyze (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
CID 157035531
(2S)-2-[[3-[[2-(2-amino-4-pyridinyl)acetyl]amino]-2,6-dichlorobenzoyl]amino]-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 157035647
(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[1-[(1R)-2,3-dihydro-1H-inden-1-yl]ethylcarbamoylamino]propanoic acid
CID 166818117
2-[[2,6-dichloro-4-[(3-chlorophenyl)methyl-methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
CID 170162140
2,6-dichloro-4-N-[(3-chlorophenyl)methyl]-1-N-[(2R)-1-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propan-2-yl]benzene-1,4-dicarboxamide
CID 166818260
4-[2,6-dichloro-4-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2-[(2,3-dihydro-1H-inden-1-ylcarbamoylamino)methyl]-4-oxobutanoic acid
CID 167663746
2-[[2,6-dichloro-4-(phenylmethoxymethyl)benzoyl]amino]-3-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)propanoic acid
CID 166506972
(2S)-2-[(2-benzyl-5,7-dichloro-1-oxo-3,4-dihydroisoquinoline-6-carbonyl)amino]-3-[[benzyl(methyl)carbamoyl]amino]propanoic acid;(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[5,7-dichloro-2-(cyclopropylmethyl)-1-oxo-3,4-dihydroisoquinoline-6-carbonyl]amino]propanoic acid;(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[5,7-dichloro-2-(3-cyclopropylprop-2-ynyl)-1-oxo-3,4-dihydroisoquinoline-6-carbonyl]amino]propanoic acid;(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[5,7-dichloro-2-[(3-fluorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-6-carbonyl]amino]propanoic acid;(2S)-2-[[5,7-dichloro-2-[(4-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-6-carbonyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;ethyl (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[5,7-dichloro-2-[(3-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-6-carbonyl]amino]propanoate
CID 167625574
(2S)-2-[[2,6-dichloro-4-(3-phenylpyrrolidin-1-yl)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
CID 157035689
(2S)-2-[(2-acetyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl)amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[(2-benzoyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline-6-carbonyl)amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[(2-benzyl-5,7-dichloro-1-oxo-3,4-dihydroisoquinoline-6-carbonyl)amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[5,7-dichloro-2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[5,7-dichloro-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[(1,3-dichloro-5,6,7,8-tetrahydronaphthalene-2-carbonyl)amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid
CID 167704130
(2S)-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 68819437
(2S)-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-(cinnoline-4-carbonylamino)propanoic acid
CID 20714652

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid (CID 167609653) is (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid is Cc1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c2Cl)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N(C)Cc3ccccc3)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)NC3CCC(C)(C)c4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.Cc1cccc(CNC(=O)c2cc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]3CCc4ccccc43)C(=O)O)c(Cl)c2)c1.O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(=O)N[C@@H](CNC(=O)N[C@@H]2CCc3ccccc32)C(=O)O)c1Cl.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(NCCCc2ccccc2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1c(Cl)ccc(Nc2ncc3ccccc3n2)c1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.O=C(NC[C@H](NC(=O)c1ccc(C(=O)NCc2ccccc2O)cc1Cl)C(=O)O)N[C@@H]1CCc2ccccc21.
What is the InChIKey of (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid?
The InChIKey is KWAVICVSZYWZNO-GBQWDYOQSA-N. The full InChI is InChI=1S/C32H34Cl2N4O5.4C29H28Cl2N4O5.C29H30Cl2N4O4.C28H24Cl2N6O4.C28H28Cl2N4O5.C28H27ClN4O6/c1-18-7-6-8-19(13-18)16-35-28(39)20-14-23(33)27(24(34)15-20)29(40)37-26(30(41)42)17-36-31(43)38-25-11-12-32(2,3)22-10-5-4-9-21(22)25;1-16-5-4-6-17(13-16)14-24(36)33-22-12-10-20(30)25(26(22)31)27(37)34-23(28(38)39)15-32-29(40)35-21-11-9-18-7-2-3-8-19(18)21;2*1-16-5-4-6-17(11-16)14-32-26(36)19-12-21(30)25(22(31)13-19)27(37)34-24(28(38)39)15-33-29(40)35-23-10-9-18-7-2-3-8-20(18)23;30-20-12-14-22(33-24(36)15-10-17-6-2-1-3-7-17)26(31)25(20)27(37)34-23(28(38)39)16-32-29(40)35-21-13-11-18-8-4-5-9-19(18)21;30-21-13-15-23(32-16-6-9-18-7-2-1-3-8-18)26(31)25(21)27(36)34-24(28(37)38)17-33-29(39)35-22-14-12-19-10-4-5-11-20(19)22;29-18-10-12-21(35-27-31-13-16-6-2-4-8-19(16)34-27)24(30)23(18)25(37)33-22(26(38)39)14-32-28(40)36-20-11-9-15-5-1-3-7-17(15)20;1-17-7-6-10-19(11-17)14-31-25(35)20-12-21(29)24(22(30)13-20)26(36)33-23(27(37)38)15-32-28(39)34(2)16-18-8-4-3-5-9-18;29-21-13-17(25(35)30-14-18-6-2-4-8-24(18)34)9-11-20(21)26(36)32-23(27(37)38)15-31-28(39)33-22-12-10-16-5-1-3-7-19(16)22/h4-10,13-15,25-26H,11-12,16-17H2,1-3H3,(H,35,39)(H,37,40)(H,41,42)(H2,36,38,43);2-8,10,12-13,21,23H,9,11,14-15H2,1H3,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);2*2-8,11-13,23-24H,9-10,14-15H2,1H3,(H,32,36)(H,34,37)(H,38,39)(H2,33,35,40);1-9,12,14,21,23H,10-11,13,15-16H2,(H,33,36)(H,34,37)(H,38,39)(H2,32,35,40);1-5,7-8,10-11,13,15,22,24,32H,6,9,12,14,16-17H2,(H,34,36)(H,37,38)(H2,33,35,39);1-8,10,12-13,20,22H,9,11,14H2,(H,33,37)(H,38,39)(H,31,34,35)(H2,32,36,40);3-13,23H,14-16H2,1-2H3,(H,31,35)(H,32,39)(H,33,36)(H,37,38);1-9,11,13,22-23,34H,10,12,14-15H2,(H,30,35)(H,32,36)(H,37,38)(H2,31,33,39)/t25?,26-;21-,23+;2*23-,24+;21-,23+;22-,24+;20-,22+;23-;22-,23+/m011111101/s1.
What are the key properties of (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid?
(2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid has a molecular weight of 5230.83 g/mol, XLogP of 41.18, 84 rotatable bonds, 45 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[benzyl(methyl)carbamoyl]amino]-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]propanoic acid;(2S)-2-[[2-chloro-4-[(2-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-[[2-(3-methylphenyl)acetyl]amino]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;bis((2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid);(2S)-2-[[2,6-dichloro-4-[(3-methylphenyl)methylcarbamoyl]benzoyl]amino]-3-[(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropanoylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(3-phenylpropylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid;(2S)-2-[[2,6-dichloro-3-(quinazolin-2-ylamino)benzoyl]amino]-3-[[(1R)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 167609653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).