(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

C32H37N5O5 — CID 169081468

IUPAC(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C32H37N5O5/c38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26/h1-9,14,20,22-23,25,27-28,35,38H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40)/t22-,23+,25-,27-,28?/m0/s1
InChIKeyPMBRTZGTWDWGLM-DZPGKVTMSA-N
MW571.68 g/mol
LogP2.10
Rot. Bonds10

About (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 169081468) has the molecular formula C32H37N5O5 and a molecular weight of 571.68 g/mol. Its IUPAC name is (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID169081468
Molecular FormulaC32H37N5O5
Molecular Weight571.68 g/mol
Exact Mass571.28
IUPAC Name(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)C(O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CC2)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C32H37N5O5/c38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26/h1-9,14,20,22-23,25,27-28,35,38H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40)/t22-,23+,25-,27-,28?/m0/s1
InChIKeyPMBRTZGTWDWGLM-DZPGKVTMSA-N
XLogP2.10
TPSA143.63 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.68
LogP ≤ 52.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-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

(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide
CID 171088237
(2S,4R)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-ethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 162695633
(2S,4S)-N-[(2S)-4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-ethenyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 162695988
(2S,4S)-N-[(3S)-1-(benzylamino)-1,2-dioxo-5-[(3R)-2-oxopyrrolidin-3-yl]pentan-3-yl]-4-ethenyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 166937077
(2S,4S)-N-[4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropylpyrrolidine-2-carboxamide
CID 162695747
(3S,6S)-N-[4-(benzylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-2,2-difluoro-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 166936398
(2S,3aS,6aS)-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-2-carboxamide
CID 171088082
(6S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-(1H-pyrazol-5-yl)butan-2-yl]-5-(1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide
CID 162695887
(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 162695553
(2S,4S)-N-[(1R,2S)-1-cyano-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-1-(4-methoxy-1H-indole-2-carbonyl)-4-phenylpyrrolidine-2-carboxamide
CID 162396226
N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-2-(1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 171418146
(2S,4S)-4-cyclopropyl-N-[(2S)-3,4-dioxo-1-[(1S)-2-oxocyclopentyl]-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 163525983

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (CID 169081468) is (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C(O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CC2)CN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PMBRTZGTWDWGLM-DZPGKVTMSA-N. The full InChI is InChI=1S/C32H37N5O5/c38-28(31(41)34-17-19-6-2-1-3-7-19)25(15-22-12-13-33-29(22)39)36-30(40)27-16-23(20-10-11-20)18-37(27)32(42)26-14-21-8-4-5-9-24(21)35-26/h1-9,14,20,22-23,25,27-28,35,38H,10-13,15-18H2,(H,33,39)(H,34,41)(H,36,40)/t22-,23+,25-,27-,28?/m0/s1.
What are the key properties of (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 2.10, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2S)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4-cyclopropyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 169081468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).