2-[[2-[[1-[2-[[2-[[2-[[1-[5-azanyl-2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[[2-[[1-[2-[[2-[[2-[[1-[5-azanyl-2-[[5-azanyl-2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[[2-[[1-[2-[[2-[[2-[[1-[5-amino-2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-pentanoic acid CAS Name: 2-[[2-[[[1-[2-[[2-[[2-[[[1-[5-amino-2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[[2-[[1-[2-[[2-[[2-[[1-[5-amino-2-[[5-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[[2-[[1-[2-[[2-[[2-[[1-[5-amino-2-[[5-amino-5-keto-2-(tyrosylamino)pentanoyl]amino]-5-keto-pentanoyl]prolyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]prolyl]amino]-3-methyl-butanoyl]amino]-5-guanidino-valeric acid Formula: C53H85N15O14 MolecularWeight: 1156.3341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

CC(C)CC(C(=O)NCC(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C53H85N15O14/c1-27(2)24-36(45(74)60-26-41(72)67-22-8-11-37(67)47(76)65-42(28(3)4)49(78)63-35(52(81)82)10-7-21-59-53(57)58)64-50(79)43(29(5)6)66-48(77)38-12-9-23-68(38)51(80)34(18-20-40(56)71)62-46(75)33(17-19-39(55)70)61-44(73)32(54)25-30-13-15-31(69)16-14-30/h13-16,27-29,32-38,42-43,69H,7-12,17-26,54H2,1-6H3,(H2,55,70)(H2,56,71)(H,60,74)(H,61,73)(H,62,75)(H,63,78)(H,64,79)(H,65,76)(H,66,77)(H,81,82)(H4,57,58,59)