Current position:Home >Product >

(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-methyl-amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-

Systemtic Name:	(4S)-4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-methyl-amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-methyl-amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-3,3-diphenyl-propan-
Openeye Name:	(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl]propyl]-methyl-amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]-methyl-carbamoyl]-2-methyl-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
CAS Name:	(4S)-4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
IUPAC Name:	(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid
Traditional Name:	(4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S,2S)-1-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]-2-keto-1-methylol-ethyl]amino]-2-keto-1-methyl-ethyl]carbamoyl]propyl]-methyl-amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-methyl-carbamoyl]-2-methyl-butyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid
Formula:	C₆₅H₉₅N₁₃O₁₆
MolecularWeight:	1314.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)C(CC1CCCCC1)C(=O)N(C)C(CC)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C65H95N13O16/c1-10-37(5)54(75-63(92)55(53(41-23-17-13-18-24-41)42-25-19-14-20-26-42)76-58(87)44(27-28-51(81)82)71-60(89)47(32-52(83)84)70-39(7)80)65(94)78(9)50(30-40-21-15-12-16-22-40)64(93)77(8)49(11-2)62(91)69-38(6)57(86)74-48(34-79)61(90)73-46(31-43-33-67-35-68-43)59(88)72-45(56(66)85)29-36(3)4/h13-14,17-20,23-26,33,35-38,40,44-50,53-55,79H,10-12,15-16,21-22,27-32,34H2,1-9H3,(H2,66,85)(H,67,68)(H,69,91)(H,70,80)(H,71,89)(H,72,88)(H,73,90)(H,74,86)(H,75,92)(H,76,87)(H,81,82)(H,83,84)/t37-,38-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1

Other Product