(2S)-2-[[(2R)-2-[[(3S)-3-azanyl-2-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]-[(2S,6S)-2,6-bis(azanyl)-3,7-dimethyl-5-oxidanylidene-octanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(3S)-3-azanyl-2-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]-[(2S,6S)-2,6-bis(azanyl)-3,7-dimethyl-5-oxidanylidene-octanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxo-pentanoyl]amino]-4-methyl-pentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxo-octanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(3S)-3-amino-1,2-dioxopentyl]amino]-4-methyl-1-oxopentyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-1,5-dioxooctyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-oxopentanoyl]amino]-4-methylpentanoyl]-[(2S,6S)-2,6-diamino-3,7-dimethyl-5-oxooctanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(3S)-3-amino-2-keto-pentanoyl]amino]-4-methyl-pentanoyl]-[(2S,6S)-2,6-diamino-5-keto-3,7-dimethyl-octanoyl]amino]-3-methyl-butyric acid Formula: C26H47N5O7 MolecularWeight: 541.68068

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)NC(CC(C)C)C(=O)N(C(C(C)C)C(=O)O)C(=O)C(C(C)CC(=O)C(C(C)C)N)N)N

Isomeric SMILES

CC[C@@H](C(=O)C(=O)N[C@H](CC(C)C)C(=O)N([C@@H](C(C)C)C(=O)O)C(=O)[C@H](C(C)CC(=O)[C@H](C(C)C)N)N)N

InChI

InChI=1S/C26H47N5O7/c1-9-16(27)22(33)23(34)30-17(10-12(2)3)24(35)31(21(14(6)7)26(37)38)25(36)20(29)15(8)11-18(32)19(28)13(4)5/h12-17,19-21H,9-11,27-29H2,1-8H3,(H,30,34)(H,37,38)/t15?,16-,17+,19-,20-,21-/m0/s1