N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxidanylidene-chromene-7-carboxamide

Systemtic Name: N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxidanylidene-chromene-7-carboxamide Openeye Name: N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]propanoyl]-4-methyl-2-oxo-chromene-7-carboxamide CAS Name: N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]amino]-1-oxopropyl]-4-methyl-2-oxo-1-benzopyran-7-carboxamide IUPAC Name: N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]propanoyl]-4-methyl-2-oxochromene-7-carboxamide Traditional Name: N-[(2S)-2-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]propanoyl]-2-keto-4-methyl-chromene-7-carboxamide Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C)C(=O)NC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)C1=CC2=C(C=C1)C(=CC(=O)O2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O6/c1-5-15(2)23(29-25(33)18-9-7-6-8-10-18)27(35)28-17(4)24(32)30-26(34)19-11-12-20-16(3)13-22(31)36-21(20)14-19/h6-15,17,23H,5H2,1-4H3,(H,28,35)(H,29,33)(H,30,32,34)/t15-,17-,23-/m0/s1