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

Systemtic Name: 4-azanyl-2-[2-[[2-[2-[[4-azanyl-2-[[2-[[2-[[2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-oxo-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[[2-[2-[[4-amino-2-[[2-[[2-[[2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-4-keto-butanoyl]amino]propanoylamino]-3-methyl-pentanoyl]amino]acetyl]amino]-4-keto-butyric acid Formula: C47H76N16O16 MolecularWeight: 1121.20394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)N

Isomeric SMILES

CCC(C)C(C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=C(C=C1)O)N

InChI

InChI=1S/C47H76N16O16/c1-6-22(4)37(44(76)55-19-35(69)57-30(46(78)79)18-34(51)68)63-38(70)23(5)56-42(74)29(17-33(50)67)60-43(75)31(20-64)61-45(77)36(21(2)3)62-41(73)27(8-7-15-54-47(52)53)59-40(72)28(13-14-32(49)66)58-39(71)26(48)16-24-9-11-25(65)12-10-24/h9-12,21-23,26-31,36-37,64-65H,6-8,13-20,48H2,1-5H3,(H2,49,66)(H2,50,67)(H2,51,68)(H,55,76)(H,56,74)(H,57,69)(H,58,71)(H,59,72)(H,60,75)(H,61,77)(H,62,73)(H,63,70)(H,78,79)(H4,52,53,54)