methyl (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-azanyl-1-oxidanyl-ethyl]cyclopropyl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-azanyl-1-oxidanyl-ethyl]cyclopropyl]carbonylamino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-amino-1-hydroxy-ethyl]cyclopropanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[[(1S,2R)-2-[(1S)-2-amino-1-hydroxyethyl]cyclopropyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-amino-1-hydroxyethyl]cyclopropanecarbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(1S,2R)-2-[(1S)-2-amino-1-hydroxy-ethyl]cyclopropanecarbonyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC2C(CN)O

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]2C[C@H]2[C@@H](CN)O

InChI

InChI=1S/C22H33N3O5/c1-13(2)9-18(22(29)30-3)25-21(28)17(10-14-7-5-4-6-8-14)24-20(27)16-11-15(16)19(26)12-23/h4-8,13,15-19,26H,9-12,23H2,1-3H3,(H,24,27)(H,25,28)/t15-,16+,17+,18+,19-/m1/s1