methyl (2R)-2-azanyl-3-[[4-[[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]phenyl]methylsulfanyl]propanoate

Systemtic Name: methyl (2R)-2-azanyl-3-[[4-[[(2R)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]sulfanylmethyl]phenyl]methylsulfanyl]propanoate Openeye Name: methyl (2R)-2-amino-3-[[4-[[(2R)-2-amino-3-methoxy-3-oxo-propyl]sulfanylmethyl]phenyl]methylsulfanyl]propanoate CAS Name: (2R)-2-amino-3-[[4-[[[(2R)-2-amino-3-methoxy-3-oxopropyl]thio]methyl]phenyl]methylthio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-amino-3-[[4-[[(2R)-2-amino-3-methoxy-3-oxopropyl]sulfanylmethyl]phenyl]methylsulfanyl]propanoate Traditional Name: (2R)-2-amino-3-[[4-[[[(2R)-2-amino-3-keto-3-methoxy-propyl]thio]methyl]benzyl]thio]propionic acid methyl ester Formula: C16H24N2O4S2 MolecularWeight: 372.50276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=C(C=C1)CSCC(C(=O)OC)N)N

Isomeric SMILES

COC(=O)[C@H](CSCC1=CC=C(C=C1)CSC[C@@H](C(=O)OC)N)N

InChI

InChI=1S/C16H24N2O4S2/c1-21-15(19)13(17)9-23-7-11-3-5-12(6-4-11)8-24-10-14(18)16(20)22-2/h3-6,13-14H,7-10,17-18H2,1-2H3/t13-,14-/m0/s1