N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C24H32N4O6 — CID 154702364

IUPACN-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
InChIInChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1
InChIKeyVBDNWOQWUMJPAC-WBAXXEDZSA-N
MW472.54 g/mol
LogP1.04
Rot. Bonds12

About N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 154702364) has the molecular formula C24H32N4O6 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID154702364
Molecular FormulaC24H32N4O6
Molecular Weight472.54 g/mol
Exact Mass472.23
IUPAC NameN-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILESCCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
InChIInChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1
InChIKeyVBDNWOQWUMJPAC-WBAXXEDZSA-N
XLogP1.04
TPSA149.62 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 154702364) is N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide is CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO.
What is the InChIKey of N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is VBDNWOQWUMJPAC-WBAXXEDZSA-N. The full InChI is InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 1.04, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxohexan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 154702364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).