(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-oxidanyl-propanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-hydroxy-1-oxopropyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]glutaric acid Formula: C40H70N10O15 MolecularWeight: 931.0418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C40H70N10O15/c1-18(2)29(50-39(63)31(20(5)6)49-35(59)24(12-14-27(52)53)44-32(56)21(7)42)37(61)43-22(8)33(57)48-30(19(3)4)38(62)45-23(11-9-10-16-41)34(58)47-26(17-51)36(60)46-25(40(64)65)13-15-28(54)55/h18-26,29-31,51H,9-17,41-42H2,1-8H3,(H,43,61)(H,44,56)(H,45,62)(H,46,60)(H,47,58)(H,48,57)(H,49,59)(H,50,63)(H,52,53)(H,54,55)(H,64,65)/t21-,22-,23-,24-,25-,26-,29-,30-,31-/m0/s1