Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C80H104ClN15O14.C2H4O2 |
Molecular Weight | 1595.279 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)C1=CN=CC=C1)NC(=O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(Cl)C=C4)NC(=O)[C@@H](CC5=CC6=CC=CC=C6C=C5)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N7CCC[C@H]7C(=O)N[C@H](C)C(N)=O
InChI
InChIKey=BMTFCXKYKNXOFT-HXEHGVSZSA-N
InChI=1S/C80H104ClN15O14.C2H4O2/c1-48(2)39-63(73(103)90-62(22-11-12-36-85-49(3)4)80(110)96-38-16-23-68(96)77(107)87-50(5)70(82)100)91-72(102)61(21-10-13-37-86-71(101)58-20-15-35-84-46-58)89-78(108)69(44-53-27-32-60(99)33-28-53)95(7)79(109)67(47-97)94-76(106)66(43-55-17-14-34-83-45-55)93-75(105)65(41-52-25-30-59(81)31-26-52)92-74(104)64(88-51(6)98)42-54-24-29-56-18-8-9-19-57(56)40-54;1-2(3)4/h8-9,14-15,17-20,24-35,40,45-46,48-50,61-69,85,97,99H,10-13,16,21-23,36-39,41-44,47H2,1-7H3,(H2,82,100)(H,86,101)(H,87,107)(H,88,98)(H,89,108)(H,90,103)(H,91,102)(H,92,104)(H,93,105)(H,94,106);1H3,(H,3,4)/t50-,61-,62+,63+,64-,65-,66-,67+,68+,69+;/m1./s1
Approval Year
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Code | English | ||
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Systematic Name | English |
Code System | Code | Type | Description | ||
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157147-51-8
Created by
admin on Fri Dec 15 15:42:20 GMT 2023 , Edited by admin on Fri Dec 15 15:42:20 GMT 2023
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PRIMARY | |||
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16197913
Created by
admin on Fri Dec 15 15:42:20 GMT 2023 , Edited by admin on Fri Dec 15 15:42:20 GMT 2023
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PRIMARY | |||
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H9RUJ00LXC
Created by
admin on Fri Dec 15 15:42:20 GMT 2023 , Edited by admin on Fri Dec 15 15:42:20 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD