methyl (2S)-6-azanyl-2-[[4-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-4-oxidanylidene-butyl]amino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[4-[[(2S)-2-azanyl-3-(4-phenylmethoxyphenyl)propyl]-oxidanyl-amino]-4-oxidanylidene-butyl]amino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[4-[[(2S)-2-amino-3-(4-benzyloxyphenyl)propyl]-hydroxy-amino]-4-oxo-butyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[4-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-4-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[4-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propyl]-hydroxyamino]-4-oxobutyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[4-[[(2S)-2-amino-3-(4-benzoxyphenyl)propyl]-hydroxy-amino]-4-keto-butyl]amino]hexanoic acid methyl ester Formula: C27H40N4O5 MolecularWeight: 500.6303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NCCCC(=O)N(CC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O

Isomeric SMILES

COC(=O)[C@H](CCCCN)NCCCC(=O)N(C[C@H](CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)O

InChI

InChI=1S/C27H40N4O5/c1-35-27(33)25(10-5-6-16-28)30-17-7-11-26(32)31(34)19-23(29)18-21-12-14-24(15-13-21)36-20-22-8-3-2-4-9-22/h2-4,8-9,12-15,23,25,30,34H,5-7,10-11,16-20,28-29H2,1H3/t23-,25-/m0/s1