Catalog Number:
AG0035SH
Chemical Name:
Vcmmae
CAS Number:
646502-53-6
Molecular Formula:
C68H105N11O15
Molecular Weight:
1316.6260
MDL Number:
MFCD25372036
IUPAC Name:
[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
InChI:
InChI=1S/C68H105N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-34,40-45,49-51,56-61,84H,15,17,20-23,26-28,35-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1
InChI Key:
NLMBVBUNULOTNS-HOKPPMCLSA-N
SMILES:
CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)/N=C(/[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](/N=C(/[C@H](C(C)C)/N=C(/CCCCCN1C(=O)C=CC1=O)\O)\O)CCCNC(=N)O)C)C(C)C)\O)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](/C(=N/[C@@H]([C@H](c1ccccc1)O)C)/O)C)OC)OC)C
UNII:
026S2O80A8
