2-[[6-azanyl-2-[[2-[2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-azanyl-2-[[2-[2-[[2-[[2-[[2-[[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-amino-2-[[5-guanidino-2-[[2-[[3-hydroxy-2-[[5-hydroxy-2-[[4-hydroxy-4-keto-2-[[3-methyl-2-(tyrosylamino)butanoyl]amino]butanoyl]amino]-5-keto-pentanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]hexanoyl]amino]-4-methyl-valeric acid Formula: C47H77N13O16 MolecularWeight: 1080.19178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C47H77N13O16/c1-23(2)19-33(46(75)76)58-41(70)30(9-6-7-17-48)55-40(69)29(10-8-18-52-47(50)51)54-34(63)22-53-44(73)38(25(5)61)60-42(71)31(15-16-35(64)65)56-43(72)32(21-36(66)67)57-45(74)37(24(3)4)59-39(68)28(49)20-26-11-13-27(62)14-12-26/h11-14,23-25,28-33,37-38,61-62H,6-10,15-22,48-49H2,1-5H3,(H,53,73)(H,54,63)(H,55,69)(H,56,72)(H,57,74)(H,58,70)(H,59,68)(H,60,71)(H,64,65)(H,66,67)(H,75,76)(H4,50,51,52)