2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[5-azanyl-2-(2-azanylpropanoylamino)-5-oxidanylidene-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxo-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-[(2-amino-1-oxopropyl)amino]-1,5-dioxopentyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(alanylamino)-5-amino-5-keto-pentanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]succinic acid Formula: C44H78N14O16 MolecularWeight: 1059.17432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H78N14O16/c1-18(2)15-26(53-39(69)31(19(3)4)56-37(67)25(12-13-28(46)61)51-35(65)21(7)45)38(68)52-24(11-10-14-49-44(47)48)36(66)50-17-29(62)55-33(22(8)59)42(72)57-32(20(5)6)40(70)58-34(23(9)60)41(71)54-27(43(73)74)16-30(63)64/h18-27,31-34,59-60H,10-17,45H2,1-9H3,(H2,46,61)(H,50,66)(H,51,65)(H,52,68)(H,53,69)(H,54,71)(H,55,62)(H,56,67)(H,57,72)(H,58,70)(H,63,64)(H,73,74)(H4,47,48,49)