(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide

C15H22N2O3S — CID 157010577

IUPAC(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC=O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-21-8-7-14(16-11-19)15(20)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H,16,19)(H,17,20)/t13-,14-/m0/s1
InChIKeyHJZMKDLLTOFFOZ-KBPBESRZSA-N
MW310.42 g/mol
LogP0.57
Rot. Bonds10

About (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide

(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide (PubChem CID 157010577) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide
PubChem CID157010577
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](NC=O)C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C15H22N2O3S/c1-21-8-7-14(16-11-19)15(20)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H,16,19)(H,17,20)/t13-,14-/m0/s1
InChIKeyHJZMKDLLTOFFOZ-KBPBESRZSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Alacepril
CID 71992
N-Formyl-L-methionyl-L-leucyl-L-phenylalanine
CID 443295
Phe-Met
CID 7010506
Methionylphenylalanine
CID 100048
Fmlp ome
CID 122066
FM zwitterion
CID 7010505
L-methionyl-L-phenylalanine
CID 6992350
deamino-Cys(1)-Ser-Ser-Leu-N(Me)Phe-(1)
CID 71720109
(2S)-2-[[(2S)-2-methyl-3-sulfanylpropanoyl]amino]-3-phenylpropanoic acid
CID 15647658
Ac-Cys(1)-Ser-Ser-Leu-Phe-(1)
CID 56658702
N-Formylmethionylphenylalanine
CID 119446
L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
CID 46937118

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide (CID 157010577) is (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide is CSCC[C@H](NC=O)C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide?
The InChIKey is HJZMKDLLTOFFOZ-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21-8-7-14(16-11-19)15(20)17-13(10-18)9-12-5-3-2-4-6-12/h2-6,11,13-14,18H,7-10H2,1H3,(H,16,19)(H,17,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide?
(2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide has a molecular weight of 310.42 g/mol, XLogP of 0.57, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 157010577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).