(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-(methylamino)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-azanyl-2-[[(2S)-4-azanyl-2-(methylamino)-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-(methylamino)-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-(methylamino)-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-(methylamino)-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-4-keto-2-(methylamino)butanoyl]amino]-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-valeric acid Formula: C26H47N7O9 MolecularWeight: 601.69288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H47N7O9/c1-7-13(4)20(24(39)33-21(14(5)34)25(40)31-17(26(41)42)10-12(2)3)32-22(37)15(8-9-18(27)35)30-23(38)16(29-6)11-19(28)36/h12-17,20-21,29,34H,7-11H2,1-6H3,(H2,27,35)(H2,28,36)(H,30,38)(H,31,40)(H,32,37)(H,33,39)(H,41,42)/t13-,14+,15-,16-,17-,20-,21-/m0/s1