Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C79H130N26O21S2 |
| Molecular Weight | 1844.169 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 16 / 16 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O
InChI
InChIKey=PTPRZGRJXBHNTF-DIGXPVMMSA-N
InChI=1S/C79H130N26O21S2/c1-43(108)62(104-68(116)48(23-10-13-33-82)95-72(120)57(41-127)102-67(115)52(28-30-61(85)110)96-69(117)54(38-45-19-6-3-7-20-45)99-74(122)59-26-16-36-105(59)76(124)46(83)21-8-11-31-80)75(123)103-58(42-128)73(121)97-51(27-29-60(84)109)66(114)93-49(24-14-34-90-78(86)87)63(111)92-47(22-9-12-32-81)64(112)98-53(37-44-17-4-2-5-18-44)70(118)100-55(39-106)71(119)94-50(25-15-35-91-79(88)89)65(113)101-56(40-107)77(125)126/h2-7,17-20,43,46-59,62,106-108,127-128H,8-16,21-42,80-83H2,1H3,(H2,84,109)(H2,85,110)(H,92,111)(H,93,114)(H,94,119)(H,95,120)(H,96,117)(H,97,121)(H,98,112)(H,99,122)(H,100,118)(H,101,113)(H,102,115)(H,103,123)(H,104,116)(H,125,126)(H4,86,87,90)(H4,88,89,91)/t43-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,62+/m1/s1
Approval Year
SUBSTANCE RECORD