dimethyl 5-[[(2S)-6-azanyl-1-[[(2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(2S)-6-azanyl-1-[[(2S)-2-[[(2R)-2-azanyl-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-1-oxidanylidene-hexan-2-yl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(1S)-5-amino-1-[[(2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]carbamoyl]pentyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2S)-6-amino-1-[[(2S)-2-[[(2R)-2-amino-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexan-2-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(2S)-6-amino-1-[[(2S)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-1-oxohexan-2-yl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(1S)-5-amino-1-[[(2S)-2-[[(2R)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]carbamoyl]pentyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C27H43N5O7 MolecularWeight: 549.65962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(=O)C(CCCCN)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)NC(=O)C(C(C)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(=O)[C@H](CCCCN)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)NC(=O)[C@@H](C(C)C)N

InChI

InChI=1S/C27H43N5O7/c1-15(2)11-21(31-25(35)22(29)16(3)4)24(34)32-23(33)20(9-7-8-10-28)30-19-13-17(26(36)38-5)12-18(14-19)27(37)39-6/h12-16,20-22,30H,7-11,28-29H2,1-6H3,(H,31,35)(H,32,33,34)/t20-,21-,22+/m0/s1