2-[[5-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-2-[[4-carbamoyl-2-[[2-[[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid
Molecular Formula:
C65H88N10O16S
InChI: InChI=1/C65H88N10O16S/c1-36-33-51(88-12)37(2)38(3)55(36)92(86,87)75-62(67)68-32-20-27-47(57(79)73-50(61(83)84)34-41-21-14-13-15-22-41)71-58(80)48(28-30-52(66)76)72-60(82)54(40(5)90-64(6,7)8)74-59(81)49(29-31-53(77)91-65(9,10)11)70-56(78)39(4)69-63(85)89-35-46-44-25-18-16-23-42(44)43-24-17-19-26-45(43)46/h13-19,21-26,33,39-40,46-50,54H,20,27-32,34-35H2,1-12H3,(H2,66,76)(H,69,85)(H,70,78)(H,71,80)(H,72,82)(H,73,79)(H,74,81)(H,83,84)(H3,67,68,75)/f/h69-75,83H,66-67H2/b68-62+
InChIKey: InChIKey=PKGHGOKIHYQDGJ-NGOFAMOQDV
SMILES: CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)OC(C)(C)C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C)C)OC
Names:
2-[[5-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-2-[[4-carbamoyl-2-[[2-[[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-4-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]butanoyl]amino]pentanoyl]amino]-3-phenyl-propanoic acid
Registries:
PubChem CID 2818156
PubChem ID 3277824
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