5-azanyl-2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[[2-[[2-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C52H74N14O18S MolecularWeight: 1215.29196

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C52H74N14O18S/c1-85-22-20-33(59-43(75)29(53)25-39(55)68)47(79)64-35(23-27-9-4-2-5-10-27)49(81)62-32(16-19-41(71)72)46(78)66-37(26-42(73)74)50(82)65-36(24-28-11-6-3-7-12-28)48(80)60-30(13-8-21-58-52(56)57)44(76)61-31(15-18-40(69)70)45(77)63-34(51(83)84)14-17-38(54)67/h2-7,9-12,29-37H,8,13-26,53H2,1H3,(H2,54,67)(H2,55,68)(H,59,75)(H,60,80)(H,61,76)(H,62,81)(H,63,77)(H,64,79)(H,65,82)(H,66,78)(H,69,70)(H,71,72)(H,73,74)(H,83,84)(H4,56,57,58)