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

Systemtic Name: 2-[[2-[[5-azanyl-2-[[2-[[2-[2-[[2-[[2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hydroxy-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C50H73N13O17 MolecularWeight: 1128.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C50H73N13O17/c1-25(2)20-36(49(79)80)62-46(76)35(23-40(70)71)61-44(74)32(16-17-37(52)66)59-48(78)41(26(3)64)63-47(77)33(21-27-8-5-4-6-9-27)57-38(67)24-56-43(73)31(10-7-19-55-50(53)54)58-45(75)34(22-28-11-13-29(65)14-12-28)60-42(72)30(51)15-18-39(68)69/h4-6,8-9,11-14,25-26,30-36,41,64-65H,7,10,15-24,51H2,1-3H3,(H2,52,66)(H,56,73)(H,57,67)(H,58,75)(H,59,78)(H,60,72)(H,61,74)(H,62,76)(H,63,77)(H,68,69)(H,70,71)(H,79,80)(H4,53,54,55)