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3-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[3-methyl-1-[[3-methyl-1-[[4-methyl-1-[[3-methyl-1-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[[1-oxidanylidene-1-[2-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amin

Systemtic Name:	3-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[3-methyl-1-[[3-methyl-1-[[4-methyl-1-[[3-methyl-1-[[4-oxidanyl-1,4-bis(oxidanylidene)-1-[[1-oxidanylidene-1-[2-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]propan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amin
Openeye Name:	3-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-[[2-[2-[[2-[(1-benzyl-2-hydroxy-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-1-methyl-2-oxo-ethyl]carbamoyl]-3-hydroxy-3-oxo-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-oxo-butanoic acid
CAS Name:	3-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-[[1-[[1-[[1-[[1-[[4-hydroxy-1-[[1-[2-[[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
IUPAC Name:	3-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-[[1-[[1-[[1-[[4-hydroxy-1-[[1-[2-[[1-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Traditional Name:	3-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-[[1-[[1-[[1-[[1-[[2-[2-[[2-[(1-benzyl-2-hydroxy-2-keto-ethyl)amino]-2-keto-1-methyl-ethyl]carbamoyl]pyrrolidino]-2-keto-1-methyl-ethyl]carbamoyl]-3-hydroxy-3-keto-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]-2-methyl-butyl]amino]-4-keto-butyric acid
Formula:	C₆₅H₁₀₁N₁₅O₁₉
MolecularWeight:	1396.58654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CO)N

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(C(C)C)NC(=O)C(CO)N

InChI

InChI=1S/C65H101N15O19/c1-13-34(9)51(79-63(96)52(35(10)14-2)78-58(91)44(27-48(84)85)71-56(89)42(25-39-28-67-30-68-39)73-60(93)49(32(5)6)76-54(87)40(66)29-81)62(95)72-41(23-31(3)4)57(90)77-50(33(7)8)61(94)74-43(26-47(82)83)55(88)70-37(12)64(97)80-22-18-21-46(80)59(92)69-36(11)53(86)75-45(65(98)99)24-38-19-16-15-17-20-38/h15-17,19-20,28,30-37,40-46,49-52,81H,13-14,18,21-27,29,66H2,1-12H3,(H,67,68)(H,69,92)(H,70,88)(H,71,89)(H,72,95)(H,73,93)(H,74,94)(H,75,86)(H,76,87)(H,77,90)(H,78,91)(H,79,96)(H,82,83)(H,84,85)(H,98,99)

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