A1ADM

N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide

Created: 2024-01-22
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count3
Bond Count64
Aromatic Bond Count10
2D diagram of A1ADM
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Chemical Component Summary

NameN-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-1-(1H-indole-2-carbonyl)-4,4-dimethyl-L-prolinamide
Systematic Name (OpenEye OEToolkits)(2~{S})-1-(1~{H}-indol-2-ylcarbonyl)-4,4-dimethyl-~{N}-[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide
FormulaC23 H30 N4 O4
Molecular Weight426.509
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01CC1(C)CC(C(=O)NC(CC2CCNC2=O)CO)N(C1)C(=O)c1cc2ccccc2[NH]1
SMILESCACTVS3.385CC1(C)C[CH](N(C1)C(=O)c2[nH]c3ccccc3c2)C(=O)N[CH](CO)C[CH]4CCNC4=O
SMILESOpenEye OEToolkits2.0.7CC1(CC(N(C1)C(=O)c2cc3ccccc3[nH]2)C(=O)NC(CC4CCNC4=O)CO)C
Canonical SMILESCACTVS3.385 CC1(C)C[C@H](N(C1)C(=O)c2[nH]c3ccccc3c2)C(=O)N[C@H](CO)C[C@@H]4CCNC4=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1(C[C@H](N(C1)C(=O)c2cc3ccccc3[nH]2)C(=O)N[C@@H](C[C@@H]4CCNC4=O)CO)C
InChIInChI1.06 InChI=1S/C23H30N4O4/c1-23(2)11-19(21(30)25-16(12-28)9-15-7-8-24-20(15)29)27(13-23)22(31)18-10-14-5-3-4-6-17(14)26-18/h3-6,10,15-16,19,26,28H,7-9,11-13H2,1-2H3,(H,24,29)(H,25,30)/t15-,16-,19-/m0/s1
InChIKeyInChI1.06 VFSCZUUJUPXSPK-BXWFABGCSA-N