5-[[6-azanyl-1-[[6-azanyl-1-[[5-azanyl-1,5-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[6-azanyl-1-[[6-azanyl-1-[[5-azanyl-1,5-bis(oxidanylidene)-1-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[5-amino-1-[[5-amino-1-[[4-amino-1-[[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]carbamoyl]-4-oxo-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-4-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[6-amino-1-[[6-amino-1-[[5-amino-1-[(1-hydroxy-3-mercapto-1-oxopropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[6-amino-1-[[6-amino-1-[[5-amino-1-[(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[5-amino-1-[[5-amino-1-[[4-amino-1-[[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]carbamoyl]-4-keto-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-4-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-keto-valeric acid Formula: C50H84N16O14S MolecularWeight: 1165.36576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H84N16O14S/c1-27(2)23-35(65-48(78)36(24-28-11-4-3-5-12-28)64-41(71)29(53)25-39(55)68)47(77)61-32(15-10-22-58-50(56)57)44(74)63-34(17-19-40(69)70)45(75)60-30(13-6-8-20-51)42(72)59-31(14-7-9-21-52)43(73)62-33(16-18-38(54)67)46(76)66-37(26-81)49(79)80/h3-5,11-12,27,29-37,81H,6-10,13-26,51-53H2,1-2H3,(H2,54,67)(H2,55,68)(H,59,72)(H,60,75)(H,61,77)(H,62,73)(H,63,74)(H,64,71)(H,65,78)(H,66,76)(H,69,70)(H,79,80)(H4,56,57,58)