(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[2-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-valeric acid Formula: C39H71N9O12 MolecularWeight: 858.03414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H71N9O12/c1-10-22(8)31(37(57)44-26(17-29(51)52)35(55)48-32(23(9)49)38(58)45-27(39(59)60)16-20(4)5)47-36(56)30(21(6)7)46-34(54)25(13-11-12-14-40)43-28(50)18-42-33(53)24(41)15-19(2)3/h19-27,30-32,49H,10-18,40-41H2,1-9H3,(H,42,53)(H,43,50)(H,44,57)(H,45,58)(H,46,54)(H,47,56)(H,48,55)(H,51,52)(H,59,60)/t22-,23+,24-,25-,26-,27-,30-,31-,32-/m0/s1