Catalog Number:
AG00GU92
Chemical Name:
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-, methyl ester
CAS Number:
863971-38-4
Molecular Formula:
C55H77N5O10
Molecular Weight:
968.2274
MDL Number:
MFCD28385900
IUPAC Name:
methyl (2R)-2-[[3-[9-[[2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methoxy-5,10-dimethyl-4-(methylamino)-8-oxoundecanoyl]pyrrolidin-2-yl]-propanoylamino]-3-methoxy-2-methyl-3-phenylpropanoate
InChI:
InChI=1S/C55H77N5O10/c1-13-46(63)60(55(7,53(65)69-12)50(68-11)36-21-15-14-16-22-36)51-41(29-30-57-51)44(62)31-45(67-10)48(56-8)35(6)27-28-43(61)47(33(2)3)58-52(64)49(34(4)5)59(9)54(66)70-32-42-39-25-19-17-23-37(39)38-24-18-20-26-40(38)42/h14-26,33-35,41-42,45,47-51,56-57H,13,27-32H2,1-12H3,(H,58,64)/t35?,41?,45?,47?,48?,49?,50?,51?,55-/m1/s1
InChI Key:
MIKWVPNNGOTBMJ-GNVUOLAPSA-N
SMILES:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)OC)Cc1ccccc1)C)OC)OC)C
