(2S)-2-azanyl-6-[3,4-bis[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-2-phenylmethoxycarbonyl-pyrrol-1-yl]hexanoic acid

Systemtic Name: (2S)-2-azanyl-6-[3,4-bis[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butyl]-2-phenylmethoxycarbonyl-pyrrol-1-yl]hexanoic acid Openeye Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxo-butyl]-2-benzyloxycarbonyl-pyrrol-1-yl]hexanoic acid CAS Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxobutyl]-2-phenylmethoxycarbonyl-1-pyrrolyl]hexanoic acid IUPAC Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-oxobutyl]-2-phenylmethoxycarbonylpyrrol-1-yl]hexanoic acid Traditional Name: (2S)-2-amino-6-[3,4-bis[(3S)-3-amino-4-hydroxy-4-keto-butyl]-2-carbobenzoxy-pyrrol-1-yl]hexanoic acid Formula: C26H36N4O8 MolecularWeight: 532.58604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C(=CN2CCCCC(C(=O)O)N)CCC(C(=O)O)N)CCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C(=CN2CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C26H36N4O8/c27-19(23(31)32)8-4-5-13-30-14-17(9-11-20(28)24(33)34)18(10-12-21(29)25(35)36)22(30)26(37)38-15-16-6-2-1-3-7-16/h1-3,6-7,14,19-21H,4-5,8-13,15,27-29H2,(H,31,32)(H,33,34)(H,35,36)/t19-,20-,21-/m0/s1