(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide

C24H35N5O5 — CID 170899735

IUPAC(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)[C@@H]1NC[C@@](N)(C(=O)Nc2ccccc2)[C@H]1O
InChIInChI=1S/C24H35N5O5/c1-14(2)10-18(22(33)28-17(12-30)11-15-8-9-26-21(15)32)19-20(31)24(25,13-27-19)23(34)29-16-6-4-3-5-7-16/h3-7,12,14-15,17-20,27,31H,8-11,13,25H2,1-2H3,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18+,19-,20-,24-/m0/s1
InChIKeyCWCMPZZYGZZKEW-FTJHGIRZSA-N
MW473.57 g/mol
LogP-0.47
Rot. Bonds10

About (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide

(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide (PubChem CID 170899735) has the molecular formula C24H35N5O5 and a molecular weight of 473.57 g/mol. Its IUPAC name is (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide
PubChem CID170899735
Molecular FormulaC24H35N5O5
Molecular Weight473.57 g/mol
Exact Mass473.26
IUPAC Name(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide
SMILESCC(C)C[C@@H](C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)[C@@H]1NC[C@@](N)(C(=O)Nc2ccccc2)[C@H]1O
InChIInChI=1S/C24H35N5O5/c1-14(2)10-18(22(33)28-17(12-30)11-15-8-9-26-21(15)32)19-20(31)24(25,13-27-19)23(34)29-16-6-4-3-5-7-16/h3-7,12,14-15,17-20,27,31H,8-11,13,25H2,1-2H3,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18+,19-,20-,24-/m0/s1
InChIKeyCWCMPZZYGZZKEW-FTJHGIRZSA-N
XLogP-0.47
TPSA162.65 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 5-0.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide (CID 170899735) is (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide is CC(C)C[C@@H](C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O)[C@@H]1NC[C@@](N)(C(=O)Nc2ccccc2)[C@H]1O.
What is the InChIKey of (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is CWCMPZZYGZZKEW-FTJHGIRZSA-N. The full InChI is InChI=1S/C24H35N5O5/c1-14(2)10-18(22(33)28-17(12-30)11-15-8-9-26-21(15)32)19-20(31)24(25,13-27-19)23(34)29-16-6-4-3-5-7-16/h3-7,12,14-15,17-20,27,31H,8-11,13,25H2,1-2H3,(H,26,32)(H,28,33)(H,29,34)/t15-,17-,18+,19-,20-,24-/m0/s1.
What are the key properties of (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide?
(3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 473.57 g/mol, XLogP of -0.47, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-3-amino-4-hydroxy-5-[(2R)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 170899735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).