N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C28H38N6O6 — CID 162396228

IUPACN-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILES[H]/N=C1/C([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c(OC)cccc3[nH]2)OC(=O)N1CCC
InChIInChI=1S/C28H38N6O6/c1-5-11-34-24(29)23(40-28(34)38)19(13-16-9-10-30-25(16)35)32-26(36)20(12-15(2)3)33-27(37)21-14-17-18(31-21)7-6-8-22(17)39-4/h6-8,14-16,19-20,23,29,31H,5,9-13H2,1-4H3,(H,30,35)(H,32,36)(H,33,37)/b29-24-/t16-,19-,20-,23?/m0/s1
InChIKeyXPSMSXOQRWNSCX-WCVQGNAKSA-N
MW554.65 g/mol
LogP2.54
Rot. Bonds12

About N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 162396228) has the molecular formula C28H38N6O6 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
PubChem CID162396228
Molecular FormulaC28H38N6O6
Molecular Weight554.65 g/mol
Exact Mass554.29
IUPAC NameN-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
SMILES[H]/N=C1/C([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c(OC)cccc3[nH]2)OC(=O)N1CCC
InChIInChI=1S/C28H38N6O6/c1-5-11-34-24(29)23(40-28(34)38)19(13-16-9-10-30-25(16)35)32-26(36)20(12-15(2)3)33-27(37)21-14-17-18(31-21)7-6-8-22(17)39-4/h6-8,14-16,19-20,23,29,31H,5,9-13H2,1-4H3,(H,30,35)(H,32,36)(H,33,37)/b29-24-/t16-,19-,20-,23?/m0/s1
InChIKeyXPSMSXOQRWNSCX-WCVQGNAKSA-N
XLogP2.54
TPSA165.71 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.65
LogP ≤ 52.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-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-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 162396228) is N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is [H]/N=C1/C([C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)c2cc3c(OC)cccc3[nH]2)OC(=O)N1CCC.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is XPSMSXOQRWNSCX-WCVQGNAKSA-N. The full InChI is InChI=1S/C28H38N6O6/c1-5-11-34-24(29)23(40-28(34)38)19(13-16-9-10-30-25(16)35)32-26(36)20(12-15(2)3)33-27(37)21-14-17-18(31-21)7-6-8-22(17)39-4/h6-8,14-16,19-20,23,29,31H,5,9-13H2,1-4H3,(H,30,35)(H,32,36)(H,33,37)/b29-24-/t16-,19-,20-,23?/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?
N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 554.65 g/mol, XLogP of 2.54, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-(4-imino-2-oxo-3-propyl-1,3-oxazolidin-5-yl)-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 162396228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).