methyl (2S,3S)-3-oxidanyl-2-[[3-[[3-oxidanyl-2-[[3-oxidanyl-2-(1H-pyrrol-2-ylcarbonylamino)butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]butanoate

Systemtic Name: methyl (2S,3S)-3-oxidanyl-2-[[3-[[3-oxidanyl-2-[[3-oxidanyl-2-(1H-pyrrol-2-ylcarbonylamino)butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]butanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-1-oxo-2-[[oxo(1H-pyrrol-2-yl)methyl]amino]butyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[[3-[[3-hydroxy-2-[[3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]butyric acid methyl ester Formula: C26H35N5O9 MolecularWeight: 561.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC(CO)C(=O)NC(CC(=O)NC(C(C)O)C(=O)OC)C1=CC=CC=C1)NC(=O)C2=CC=CN2)O

Isomeric SMILES

C[C@@H]([C@@H](C(=O)OC)NC(=O)CC(C1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C2=CC=CN2)O

InChI

InChI=1S/C26H35N5O9/c1-14(33)21(31-23(36)17-10-7-11-27-17)25(38)29-19(13-32)24(37)28-18(16-8-5-4-6-9-16)12-20(35)30-22(15(2)34)26(39)40-3/h4-11,14-15,18-19,21-22,27,32-34H,12-13H2,1-3H3,(H,28,37)(H,29,38)(H,30,35)(H,31,36)/t14?,15-,18?,19?,21?,22-/m0/s1