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4-[[1-[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1-[[1-[[1-[[1-[2-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic a

Systemtic Name:	4-[[1-[2-[[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]ethanoyl]pyrrolidin-2-yl]carbonylamino]-5-[[1-[[1-[[1-[[1-[2-[[1-[[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanyl-1,4-bis(oxidanylidene)butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-pentanoic a
Openeye Name:	4-[[1-[2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-[[1-[[1-[[1-[[1-[2-[[2-[(1-carboxy-2-hydroxy-propyl)amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-5-oxo-pentanoic acid
CAS Name:	4-[[[1-[2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-4-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-[[1-[[1-[[1-[[1-[2-[[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	4-[[1-[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-5-[[1-[[1-[[1-[[1-[2-[[1-[(1,3-dihydroxy-1-oxobutan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	4-[[1-[2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]prolyl]amino]-5-[[1-[[1-[[1-[[1-[2-[[2-[(1-carboxy-2-hydroxy-propyl)amino]-2-keto-1-methylol-ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-5-keto-valeric acid
Formula:	C₆₀H₉₇N₁₅O₂₀S
MolecularWeight:	1380.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC3=CN=CN3)NC(=O)C(CC(C)C)NC(=O)C(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC3=CN=CN3)NC(=O)C(CC(C)C)NC(=O)C(CS)N

InChI

InChI=1S/C60H97N15O20S/c1-10-31(8)47(58(92)69-37(20-29(4)5)53(87)68-39(22-45(81)82)54(88)71-46(30(6)7)59(93)75-18-12-14-42(75)57(91)70-40(25-76)55(89)73-48(32(9)77)60(94)95)72-51(85)35(15-16-44(79)80)65-56(90)41-13-11-17-74(41)43(78)24-63-50(84)38(21-33-23-62-27-64-33)67-52(86)36(19-28(2)3)66-49(83)34(61)26-96/h23,27-32,34-42,46-48,76-77,96H,10-22,24-26,61H2,1-9H3,(H,62,64)(H,63,84)(H,65,90)(H,66,83)(H,67,86)(H,68,87)(H,69,92)(H,70,91)(H,71,88)(H,72,85)(H,73,89)(H,79,80)(H,81,82)(H,94,95)

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