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5-[[6-azanyl-1-[[1-[[5-azanyl-1-[[1-[2-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]

Systemtic Name:	5-[[6-azanyl-1-[[1-[[5-azanyl-1-[[1-[2-[[1-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[2-(2-azanylethanoylamino)ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoyl]
Openeye Name:	4-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-[[5-amino-1-[[2-[[4-amino-1-[[1-[2-[[1-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-4-oxo-butyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid
CAS Name:	5-[[6-amino-1-[[1-[[5-amino-1-[[1-[2-[[[1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[6-amino-1-[[1-[[5-amino-1-[[1-[2-[[1-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	5-[[5-amino-1-[[2-[[4-amino-1-[[1-[2-[[1-[[1-[(1-carboxy-2-hydroxy-propyl)carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidine-1-carbonyl]-2-hydroxy-propyl]carbamoyl]-4-keto-butyl]amino]-2-keto-1-methylol-ethyl]carbamoyl]pentyl]amino]-4-[[2-[[2-[[2-[[2-[[2-(glycylamino)acetyl]amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid
Formula:	C₆₈H₁₁₁N₁₇O₂₄S
MolecularWeight:	1582.77344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCSC)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CN

Isomeric SMILES

InChI

InChI=1S/C68H111N17O24S/c1-33(2)27-43(61(101)81-52(34(3)4)65(105)84-55(37(7)90)68(108)109)78-64(104)47-18-14-25-85(47)67(107)54(36(6)89)83-58(98)40(19-21-48(71)91)75-62(102)45(31-86)79-56(96)39(17-12-13-24-69)74-57(97)41(20-22-51(94)95)76-63(103)46(32-87)80-66(106)53(35(5)88)82-59(99)42(23-26-110-8)77-60(100)44(28-38-15-10-9-11-16-38)73-50(93)30-72-49(92)29-70/h9-11,15-16,33-37,39-47,52-55,86-90H,12-14,17-32,69-70H2,1-8H3,(H2,71,91)(H,72,92)(H,73,93)(H,74,97)(H,75,102)(H,76,103)(H,77,100)(H,78,104)(H,79,96)(H,80,106)(H,81,101)(H,82,99)(H,83,98)(H,84,105)(H,94,95)(H,108,109)

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