Molecule

[2(R,S)-2-Sulfanylheptanoyl]-phe-ala

AlkaPlorer ID: AK390766

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-3-phenyl-2-[[(2S)-2-sulfanylheptanoyl]amino]propanoyl]amino]propanoic acid

Structure

SMILES: CCCCC[C@H](S)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](C)C(=O)O

InChI: InChI=1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1

InChIKey: GOIYKVXXGCPHQU-BPUTZDHNSA-N

Reference

The amino acid sequence of a cereal Bowman‐Birk type trypsin inhibitor from seeds of Jobs' tears (<i>Coix lachryma‐jobi</i> L.)

PubChem CID: 5289469

CAS: 170858-33-0

LOTUS: LTS0059493

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Coix lacryma-jobi	Coix	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 380.5100000000001

TPSA？: 102.48

MolLogP？: 3.8625000000000016

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi