benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate

C26H35N5O7 — CID 11844933

IUPACbenzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)Cn1c(C)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C26H35N5O7/c1-5-15(2)21(24(35)30-22(17(4)32)23(27)34)29-20(33)13-31-16(3)11-12-19(25(31)36)28-26(37)38-14-18-9-7-6-8-10-18/h6-12,15,17,21-22,32H,5,13-14H2,1-4H3,(H2,27,34)(H,28,37)(H,29,33)(H,30,35)/t15-,17+,21-,22-/m0/s1
InChIKeyYHCCBMGKFYVYLZ-WUVXFVIISA-N
MW529.59 g/mol
LogP0.79
Rot. Bonds12

About benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate

benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate (PubChem CID 11844933) has the molecular formula C26H35N5O7 and a molecular weight of 529.59 g/mol. Its IUPAC name is benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate
PubChem CID11844933
Molecular FormulaC26H35N5O7
Molecular Weight529.59 g/mol
Exact Mass529.25
IUPAC Namebenzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate
SMILESCC[C@H](C)[C@H](NC(=O)Cn1c(C)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C26H35N5O7/c1-5-15(2)21(24(35)30-22(17(4)32)23(27)34)29-20(33)13-31-16(3)11-12-19(25(31)36)28-26(37)38-14-18-9-7-6-8-10-18/h6-12,15,17,21-22,32H,5,13-14H2,1-4H3,(H2,27,34)(H,28,37)(H,29,33)(H,30,35)/t15-,17+,21-,22-/m0/s1
InChIKeyYHCCBMGKFYVYLZ-WUVXFVIISA-N
XLogP0.79
TPSA181.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.59
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

2-[6-methyl-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]acetate
CID 18172501
benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
benzyl N-[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 90900664
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
(2R,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid
CID 122408174
(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 132598880
benzyl N-[1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 4681743
(2R,3R)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 124542605
N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
benzyl N-[(2S)-1-[[(2S,3S)-1-[2-(2-amino-2-oxoethyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 44549134
(2S,3S)-3-methyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate
CID 7010536
2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 23276902

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate (CID 11844933) is benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate is CC[C@H](C)[C@H](NC(=O)Cn1c(C)ccc(NC(=O)OCc2ccccc2)c1=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O.
What is the InChIKey of benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate?
The InChIKey is YHCCBMGKFYVYLZ-WUVXFVIISA-N. The full InChI is InChI=1S/C26H35N5O7/c1-5-15(2)21(24(35)30-22(17(4)32)23(27)34)29-20(33)13-31-16(3)11-12-19(25(31)36)28-26(37)38-14-18-9-7-6-8-10-18/h6-12,15,17,21-22,32H,5,13-14H2,1-4H3,(H2,27,34)(H,28,37)(H,29,33)(H,30,35)/t15-,17+,21-,22-/m0/s1.
What are the key properties of benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate?
benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate has a molecular weight of 529.59 g/mol, XLogP of 0.79, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[[(2S,3S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 11844933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).