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

Systemtic Name: 2-[[2-[[2-[[4-azanyl-2-[[2-[[2-[[2-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-oxo-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-3-methyl-1-oxopentyl]amino]-1,4-dioxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-3-methyl-pentanoyl]amino]-4-keto-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid Formula: C55H88N16O17 MolecularWeight: 1245.38422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)N

InChI

InChI=1S/C55H88N16O17/c1-8-27(5)42(52(85)67-38(22-40(57)75)49(82)66-37(21-31-23-60-25-62-31)48(81)63-34(11-10-18-61-55(58)59)46(79)68-39(54(87)88)19-26(3)4)69-47(80)35(16-17-41(76)77)64-51(84)43(28(6)9-2)70-53(86)44(29(7)73)71-50(83)36(65-45(78)33(56)24-72)20-30-12-14-32(74)15-13-30/h12-15,23,25-29,33-39,42-44,72-74H,8-11,16-22,24,56H2,1-7H3,(H2,57,75)(H,60,62)(H,63,81)(H,64,84)(H,65,78)(H,66,82)(H,67,85)(H,68,79)(H,69,80)(H,70,86)(H,71,83)(H,76,77)(H,87,88)(H4,58,59,61)