6-azanyl-2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[2-[[5-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[2-[[5-azanyl-2-[(2-azanyl-3-methyl-butanoyl)amino]-5-oxidanylidene-pentanoyl]amino]ethanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-butanoyl)amino]-5-oxo-pentanoyl]amino]acetyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-1-oxobutyl)amino]-1,5-dioxopentyl]amino]-1-oxoethyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]acetyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-3-methyl-butanoyl)amino]-5-keto-pentanoyl]amino]acetyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoic acid Formula: C39H64N12O19 MolecularWeight: 1004.99446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H64N12O19/c1-17(2)31(43)38(68)47-18(6-9-25(41)53)32(62)44-15-27(55)45-19(7-10-28(56)57)33(63)46-20(8-11-29(58)59)34(64)51-24(16-52)37(67)49-22(13-26(42)54)35(65)50-23(14-30(60)61)36(66)48-21(39(69)70)5-3-4-12-40/h17-24,31,52H,3-16,40,43H2,1-2H3,(H2,41,53)(H2,42,54)(H,44,62)(H,45,55)(H,46,63)(H,47,68)(H,48,66)(H,49,67)(H,50,65)(H,51,64)(H,56,57)(H,58,59)(H,60,61)(H,69,70)