Valyltryptophan

C16H21N3O3CAS 24587-37-9303.36 g/mol

Open in Covalent MOL file
ONHNHOOHH2N
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C16H21N3O3
Molar mass
303.36 g/mol
Exact mass
303.1583 Da
logP
1.26Crippen estimate
Polar surface area
108.2 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
6
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
24587-37-9
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)N
InChIKey
LZDNBBYBDGBADK-KBPBESRZSA-N
InChI
InChI=1S/C16H21N3O3/c1-9(2)14(17)15(20)19-13(16(21)22)7-10-8-18-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1

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Names and synonyms

1 names
  • H-Val-trp-oh

Work with Valyltryptophan

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methyl-L-tryptophan526-31-863 % similar N-(Hydroxymethylidene)tryptophan16108-03-558 % similar D-Tryptophan153-94-657 % similar (±)-Tryptophan54-12-657 % similar Tryptophan73-22-357 % similar Fmoc-D-tryptophan86123-11-755 % similar Indoleacetyl phenylalanine57105-50-754 % similar Indole-3-lactic acid1821-52-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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