2-[[(2R)-2-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[(4S)-4-amino-5-methoxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[(4S)-4-amino-5-methoxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[(4S)-4-amino-5-methoxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[(4S)-4-amino-5-keto-5-methoxy-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC(CS)C(=O)NCC(=O)O)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N

InChI

InChI=1S/C11H19N3O6S/c1-20-11(19)6(12)2-3-8(15)14-7(5-21)10(18)13-4-9(16)17/h6-7,21H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)/t6-,7-/m0/s1