5-[[1-[[1-[[5-azanyl-1-[[4-methylsulfanyl-1-[[4-methylsulfanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene-

Systemtic Name: 5-[[1-[[1-[[5-azanyl-1-[[4-methylsulfanyl-1-[[4-methylsulfanyl-1-oxidanylidene-1-[[3-oxidanyl-1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]butan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-[[2-[[2-[[2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanylidene- Openeye Name: 5-[[2-[[1-[[4-amino-1-[[1-[[1-[[2-hydroxy-1-[(2-hydroxy-1-methyl-2-oxo-ethyl)carbamoyl]propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-3-methylsulfanyl-propyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]amino]-1-benzyl-2-oxo-ethyl]amino]-4-[[2-[[2-[(2,4-diamino-4-oxo-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[1-[[5-amino-1-[[1-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[2-[[2-[(2,4-diamino-1,4-dioxobutyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[1-[[5-amino-1-[[1-[[1-[[3-hydroxy-1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-[[4-amino-1-[[1-[[1-[[2-hydroxy-1-[(2-hydroxy-2-keto-1-methyl-ethyl)carbamoyl]propyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-3-(methylthio)propyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-propyl]amino]-1-benzyl-2-keto-ethyl]amino]-4-[[2-[[2-[(2,4-diamino-4-keto-butanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-5-keto-valeric acid Formula: C59H87N13O20S2 MolecularWeight: 1362.52718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C59H87N13O20S2/c1-29(2)47(57(89)68-36(16-19-43(61)75)50(82)66-39(22-24-93-5)53(85)67-40(23-25-94-6)54(86)72-48(31(4)73)58(90)63-30(3)59(91)92)71-56(88)42(26-32-10-8-7-9-11-32)70-52(84)38(18-21-46(79)80)64-51(83)37(17-20-45(77)78)65-55(87)41(27-33-12-14-34(74)15-13-33)69-49(81)35(60)28-44(62)76/h7-15,29-31,35-42,47-48,73-74H,16-28,60H2,1-6H3,(H2,61,75)(H2,62,76)(H,63,90)(H,64,83)(H,65,87)(H,66,82)(H,67,85)(H,68,89)(H,69,81)(H,70,84)(H,71,88)(H,72,86)(H,77,78)(H,79,80)(H,91,92)