6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid

C33H39N5O11 — CID 160674823

IUPAC6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1c(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)CNC(=O)c2ccc(C(=O)O)c(=O)n2OCc2ccccc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C33H39N5O11/c1-33(2,3)49-32(47)34-17-9-8-12-21(36-27(40)24-15-13-22(30(43)44)28(41)37(24)4)18-35-26(39)25-16-14-23(31(45)46)29(42)38(25)48-19-20-10-6-5-7-11-20/h5-7,10-11,13-16,21H,8-9,12,17-19H2,1-4H3,(H,34,47)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t21-/m0/s1
InChIKeyCYVIBCAVWSWUGI-NRFANRHFSA-N
MW681.70 g/mol
LogP1.80
Rot. Bonds15

About 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid

6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 160674823) has the molecular formula C33H39N5O11 and a molecular weight of 681.70 g/mol. Its IUPAC name is 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID160674823
Molecular FormulaC33H39N5O11
Molecular Weight681.70 g/mol
Exact Mass681.26
IUPAC Name6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCn1c(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)CNC(=O)c2ccc(C(=O)O)c(=O)n2OCc2ccccc2)ccc(C(=O)O)c1=O
InChIInChI=1S/C33H39N5O11/c1-33(2,3)49-32(47)34-17-9-8-12-21(36-27(40)24-15-13-22(30(43)44)28(41)37(24)4)18-35-26(39)25-16-14-23(31(45)46)29(42)38(25)48-19-20-10-6-5-7-11-20/h5-7,10-11,13-16,21H,8-9,12,17-19H2,1-4H3,(H,34,47)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t21-/m0/s1
InChIKeyCYVIBCAVWSWUGI-NRFANRHFSA-N
XLogP1.80
TPSA224.36 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.70
LogP ≤ 51.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid 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

methyl 6-[[2-[(5-methoxycarbonyl-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethylamino]-3-oxopropyl]carbamoyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylate
CID 135210575
tert-butyl N-[(5S)-5,6-bis[[1-butoxy-6-oxo-5-(2-sulfanylidene-1,3-thiazolidine-3-carbonyl)pyridine-2-carbonyl]amino]hexyl]carbamate
CID 155657050
(3R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid
CID 135375312
benzyl N-[(2S)-1-iodo-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 135063763
benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 59013213
benzyl N-[(5S)-6-bromo-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate
CID 165473241
benzyl N-[2-[[(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-2-oxoethyl]carbamate
CID 86624495
benzyl N-[(3S)-1-[[(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-3-yl]carbamate
CID 86625285
benzyl N-[(4S)-6-[[(2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]carbamate
CID 86624517
tert-butyl N-[(5S)-5-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-phenylmethoxyhexyl]carbamate
CID 126567982
benzyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 130376705
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid (CID 160674823) is 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid is Cn1c(C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)CNC(=O)c2ccc(C(=O)O)c(=O)n2OCc2ccccc2)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is CYVIBCAVWSWUGI-NRFANRHFSA-N. The full InChI is InChI=1S/C33H39N5O11/c1-33(2,3)49-32(47)34-17-9-8-12-21(36-27(40)24-15-13-22(30(43)44)28(41)37(24)4)18-35-26(39)25-16-14-23(31(45)46)29(42)38(25)48-19-20-10-6-5-7-11-20/h5-7,10-11,13-16,21H,8-9,12,17-19H2,1-4H3,(H,34,47)(H,35,39)(H,36,40)(H,43,44)(H,45,46)/t21-/m0/s1.
What are the key properties of 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid?
6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 681.70 g/mol, XLogP of 1.80, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-[(5-carboxy-6-oxo-1-phenylmethoxypyridine-2-carbonyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamoyl]-1-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 160674823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).