(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid

C17H26N3O7P — CID 129318950

IUPAC(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1
InChIKeyMOYNPRDFZGMZHZ-AWEZNQCLSA-N
MW415.38 g/mol
LogP1.26
Rot. Bonds11

About (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid

(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 129318950) has the molecular formula C17H26N3O7P and a molecular weight of 415.38 g/mol. Its IUPAC name is (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID129318950
Molecular FormulaC17H26N3O7P
Molecular Weight415.38 g/mol
Exact Mass415.15
IUPAC Name(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CNP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1
InChIKeyMOYNPRDFZGMZHZ-AWEZNQCLSA-N
XLogP1.26
TPSA154.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 51.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2S)-2-[[(2S)-3-amino-2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methylpentanoic acid
CID 129318951
benzyl N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamate
CID 14404662
(2S)-6-amino-2-[[(2S)-2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 137348719
benzyl N-[2-[[2-[[(2R)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 129361447
(2S)-4-methyl-2-[[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]pentanoic acid
CID 135173034
(2R)-3-phenyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoic acid
CID 6992405
dilithium;2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]acetate
CID 71458968
(2S)-2-[[(1R)-1-carboxy-3-(phenylmethoxycarbonylamino)propyl]amino]-4-methylpentanoic acid
CID 70521661
4-methyl-2-[2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoylamino]pentanoic acid
CID 70145371
benzyl N-[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]carbamate
CID 175450734
dilithium;(2S)-2-[[(2S)-4-methyl-2-[[oxido(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoate
CID 71458969
(2S)-4-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pent-4-ynoyl]amino]pentanoic acid
CID 71545293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid (CID 129318950) is (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)CNP(=O)(O)CNC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is MOYNPRDFZGMZHZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1.
What are the key properties of (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid?
(2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 415.38 g/mol, XLogP of 1.26, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[[hydroxy(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 129318950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).