methyl (3S)-7-azanyl-3-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanyl-heptanoate

Systemtic Name: methyl (3S)-7-azanyl-3-[[(2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-2-oxidanyl-heptanoate Openeye Name: methyl (3S)-7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxy-heptanoate CAS Name: (3S)-7-amino-3-[[[(2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-hydroxyheptanoic acid methyl ester IUPAC Name: methyl (3S)-7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-hydroxyheptanoate Traditional Name: (3S)-7-amino-3-[[(2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]prolyl]amino]-2-hydroxy-enanthic acid methyl ester Formula: C22H34N4O5 MolecularWeight: 434.52916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)N)O

Isomeric SMILES

COC(=O)C([C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC2=CC=CC=C2)N)O

InChI

InChI=1S/C22H34N4O5/c1-31-22(30)19(27)17(10-5-6-12-23)25-20(28)18-11-7-13-26(18)21(29)16(24)14-15-8-3-2-4-9-15/h2-4,8-9,16-19,27H,5-7,10-14,23-24H2,1H3,(H,25,28)/t16-,17+,18+,19?/m1/s1