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

Systemtic Name: 2-[[4-azanyl-2-[[2-[[1-[2-[[2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[4-amino-2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-amino-2-[[2-[[[1-[2-[[2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1,4-dioxobutyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[4-amino-2-[[2-[[1-[2-[[2-[[2-[[2-[[5-(diaminomethylideneamino)-2-[(2,4-diamino-4-oxobutanoyl)amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[4-amino-2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]prolyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butanoyl]amino]-4-methyl-valeric acid Formula: C59H87N17O14 MolecularWeight: 1258.42758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C59H87N17O14/c1-30(2)22-43(58(89)90)73-52(83)41(27-46(62)79)69-51(82)39(23-33-12-8-7-9-13-33)70-54(85)44-15-11-21-76(44)57(88)42(25-35-28-65-29-67-35)72-56(87)48(32(5)6)75-53(84)40(24-34-16-18-36(77)19-17-34)71-55(86)47(31(3)4)74-50(81)38(14-10-20-66-59(63)64)68-49(80)37(60)26-45(61)78/h7-9,12-13,16-19,28-32,37-44,47-48,77H,10-11,14-15,20-27,60H2,1-6H3,(H2,61,78)(H2,62,79)(H,65,67)(H,68,80)(H,69,82)(H,70,85)(H,71,86)(H,72,87)(H,73,83)(H,74,81)(H,75,84)(H,89,90)(H4,63,64,66)