5-azanyl-2-[[5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[5-azanyl-2-[[2-[[6-azanyl-2-[[2-[[2-[[2-[[2-[[2-(2-azanylpropanoylamino)-3-methyl-butanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methyl-butanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxohexyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[5-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(alanylamino)-3-methyl-butanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]amino]-6-amino-hexanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-5-amino-5-keto-pentanoyl]amino]-5-amino-5-keto-valeric acid Formula: C54H88N16O18 MolecularWeight: 1249.37292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C54H88N16O18/c1-26(2)23-36(49(83)63-31(9-6-7-21-55)45(79)69-38(25-42(76)77)51(85)64-33(15-18-39(57)72)48(82)66-35(53(87)88)16-19-40(58)73)67-50(84)37(24-29-11-13-30(71)14-12-29)68-46(80)32(10-8-22-61-54(59)60)62-47(81)34(17-20-41(74)75)65-52(86)43(27(3)4)70-44(78)28(5)56/h11-14,26-28,31-38,43,71H,6-10,15-25,55-56H2,1-5H3,(H2,57,72)(H2,58,73)(H,62,81)(H,63,83)(H,64,85)(H,65,86)(H,66,82)(H,67,84)(H,68,80)(H,69,79)(H,70,78)(H,74,75)(H,76,77)(H,87,88)(H4,59,60,61)