Stereochemistry | ABSOLUTE |
Molecular Formula | C140H219N29O54S2 |
Molecular Weight | 3236.5365 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@@H]1NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC5=CNC6=CC=CC=C56)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCC7=CN(CCOCCOCCOCC(=O)NCC(=O)NC(COCCC(=O)NCCOCCOCCO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8NC(C)=O)(COCCC(=O)NCCOCCOCCO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(C)=O)COCCC(=O)NCCOCCOCCO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10NC(C)=O)N=N7
InChI
InChIKey=HCIURZCYAMATMB-QKJPMHATSA-N
InChI=1S/C140H219N29O54S2/c1-77(2)55-94-127(196)149-64-109(181)155-93(23-24-112(184)185)128(197)159-95(56-78(3)4)133(202)164-114(79(5)6)136(205)161-97(58-86-62-147-92-21-15-13-19-90(86)92)130(199)163-101(135(204)165-115(81(8)173)125(141)194)72-225-224-71-100(134(203)151-80(7)126(195)157-96(57-85-61-146-91-20-14-12-18-89(85)91)129(198)160-98(131(200)158-94)59-88-63-142-76-150-88)162-132(201)99(60-113(186)187)156-108(180)22-16-17-87-66-169(168-167-87)31-38-209-42-46-210-47-48-214-70-111(183)148-65-110(182)166-140(73-215-32-25-105(177)143-28-35-206-39-43-211-49-52-218-137-116(152-82(9)174)122(191)119(188)102(67-170)221-137,74-216-33-26-106(178)144-29-36-207-40-44-212-50-53-219-138-117(153-83(10)175)123(192)120(189)103(68-171)222-138)75-217-34-27-107(179)145-30-37-208-41-45-213-51-54-220-139-118(154-84(11)176)124(193)121(190)104(69-172)223-139/h12-15,18-21,61-63,66,76-81,93-104,114-124,137-139,146-147,170-173,188-193H,16-17,22-60,64-65,67-75H2,1-11H3,(H2,141,194)(H,142,150)(H,143,177)(H,144,178)(H,145,179)(H,148,183)(H,149,196)(H,151,203)(H,152,174)(H,153,175)(H,154,176)(H,155,181)(H,156,180)(H,157,195)(H,158,200)(H,159,197)(H,160,198)(H,161,205)(H,162,201)(H,163,199)(H,164,202)(H,165,204)(H,166,182)(H,184,185)(H,186,187)/t80-,81+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,104+,114-,115-,116+,117+,118+,119-,120-,121-,122+,123+,124+,137+,138+,139+/m0/s1
Molecular Formula | C140H219N29O54S2 |
Molecular Weight | 3236.5365 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |