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

Systemtic Name: 6-azanyl-2-[[2-[[2-[[6-azanyl-2-[2-[[2-[[2-[2-[2-[(2-azanyl-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]hexanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxohexyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[2-[(2-amino-4-methyl-pentanoyl)amino]propanoylamino]propanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C52H91N15O12 MolecularWeight: 1118.37224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H91N15O12/c1-28(2)24-35(55)45(72)61-31(7)43(70)60-32(8)44(71)67-42(30(5)6)50(77)66-39(25-29(3)4)46(73)59-27-41(69)62-36(14-9-11-21-53)47(74)63-37(16-13-23-58-52(56)57)48(75)65-40(26-33-17-19-34(68)20-18-33)49(76)64-38(51(78)79)15-10-12-22-54/h17-20,28-32,35-40,42,68H,9-16,21-27,53-55H2,1-8H3,(H,59,73)(H,60,70)(H,61,72)(H,62,69)(H,63,74)(H,64,76)(H,65,75)(H,66,77)(H,67,71)(H,78,79)(H4,56,57,58)