azanyl 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]butanoyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: azanyl 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]carbonylamino]butanoyl]-1,3-benzoxazole-5-carboxylate Openeye Name: amino 2-[(2S)-2-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[(2S)-3-methyl-2-[[[(2S)-1-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxobutyl]-1,3-benzoxazole-5-carboxylic acid amino ester IUPAC Name: amino 2-[(2S)-3-methyl-2-[[(2S)-1-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[(2S)-2-[[(2S)-1-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]prolyl]amino]-3-methyl-butanoyl]-1,3-benzoxazole-5-carboxylic acid amino ester Formula: C31H37N5O8 MolecularWeight: 607.65418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=NC2=C(O1)C=CC(=C2)C(=O)ON)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)C1=NC2=C(O1)C=CC(=C2)C(=O)ON)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H37N5O8/c1-17(2)24(26(37)28-33-21-15-20(30(40)44-32)12-13-23(21)43-28)34-27(38)22-11-8-14-36(22)29(39)25(18(3)4)35-31(41)42-16-19-9-6-5-7-10-19/h5-7,9-10,12-13,15,17-18,22,24-25H,8,11,14,16,32H2,1-4H3,(H,34,38)(H,35,41)/t22-,24-,25-/m0/s1