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

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-azanyl-2-[2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-methyl-valeric acid Formula: C44H72N12O21 MolecularWeight: 1105.11028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H72N12O21/c1-18(2)12-24(52-36(68)21(45)6-9-29(46)59)37(69)48-16-31(61)49-25(14-30(47)60)40(72)53-26(15-34(66)67)41(73)50-23(8-11-33(64)65)39(71)56-35(20(5)58)43(75)55-28(17-57)42(74)51-22(7-10-32(62)63)38(70)54-27(44(76)77)13-19(3)4/h18-28,35,57-58H,6-17,45H2,1-5H3,(H2,46,59)(H2,47,60)(H,48,69)(H,49,61)(H,50,73)(H,51,74)(H,52,68)(H,53,72)(H,54,70)(H,55,75)(H,56,71)(H,62,63)(H,64,65)(H,66,67)(H,76,77)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,35+/m1/s1