(2S)-2-[[(2S,3R)-2-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S,3R)-2-[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S,3R)-2-[[2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]prolyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]glutaric acid Formula: C44H74N10O16 MolecularWeight: 999.11576

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C44H74N10O16/c1-8-22(5)34(40(65)47-20-31(57)51-36(24(7)55)42(67)49-27(44(69)70)14-17-33(60)61)53-39(64)29-11-10-18-54(29)43(68)26(13-16-32(58)59)48-38(63)28(19-21(3)4)50-41(66)35(23(6)9-2)52-37(62)25(45)12-15-30(46)56/h21-29,34-36,55H,8-20,45H2,1-7H3,(H2,46,56)(H,47,65)(H,48,63)(H,49,67)(H,50,66)(H,51,57)(H,52,62)(H,53,64)(H,58,59)(H,60,61)(H,69,70)/t22-,23-,24+,25-,26-,27-,28-,29-,34-,35-,36-/m0/s1