methyl (2S)-2-azanyl-3-[3,5-bis[(2S)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]phenyl]propanoate

Systemtic Name: methyl (2S)-2-azanyl-3-[3,5-bis[(2S)-2-azanyl-3-methoxy-3-oxidanylidene-propyl]phenyl]propanoate Openeye Name: methyl (2S)-2-amino-3-[3,5-bis[(2S)-2-amino-3-methoxy-3-oxo-propyl]phenyl]propanoate CAS Name: (2S)-2-amino-3-[3,5-bis[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-3-[3,5-bis[(2S)-2-amino-3-methoxy-3-oxopropyl]phenyl]propanoate Traditional Name: (2S)-2-amino-3-[3,5-bis[(2S)-2-amino-3-keto-3-methoxy-propyl]phenyl]propionic acid methyl ester Formula: C18H27N3O6 MolecularWeight: 381.42348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC(=C1)CC(C(=O)OC)N)CC(C(=O)OC)N)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=CC(=C1)C[C@@H](C(=O)OC)N)C[C@@H](C(=O)OC)N)N

InChI

InChI=1S/C18H27N3O6/c1-25-16(22)13(19)7-10-4-11(8-14(20)17(23)26-2)6-12(5-10)9-15(21)18(24)27-3/h4-6,13-15H,7-9,19-21H2,1-3H3/t13-,14-,15-/m0/s1