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

Systemtic Name: 2-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanylidene-5-propan-2-yloxy-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[(4S)-4-amino-5-isopropoxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[(4S)-4-amino-1,5-dioxo-5-propan-2-yloxypentyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[(4S)-4-amino-5-oxo-5-propan-2-yloxypentanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[(4S)-4-amino-5-isopropoxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C13H23N3O6S MolecularWeight: 349.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCC(=O)NC(CS)C(=O)NCC(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H23N3O6S/c1-7(2)22-13(21)8(14)3-4-10(17)16-9(6-23)12(20)15-5-11(18)19/h7-9,23H,3-6,14H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)/t8-,9-/m0/s1