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Substance Name: Zervamicin A1-16
RN: 111908-11-3
InChIKey: BDRNGIBQDOUEHT-LQAFYBHPSA-N

Note

  • An apolar synthetic derivative of naturally occurring zervamicins.

Molecular Weight

  • 1763.1881
 
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Names and Synonyms

Name of Substance

  • Zervamicin A1-16

Synonym

  • Zrv-A1-16

Systematic Name

  • L-Phenylalanine, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-L-isoleucyl-L-alanyl-2-methylalanyl-L-isoleucyl-L-valyl-2-methylalanyl-L-leucyl-2-methylalanyl-L-prolyl-L-alanyl-2-methylalanyl-L-prolyl-2-methylalanyl-L-prolyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 111908-11-3

System Generated Number

  • 0111908113

Structure Descriptors

InChI

1S/C90H139N17O19/c1-25-51(7)66(98-70(110)60(96-84(124)126-85(11,12)13)47-56-48-91-58-38-31-30-37-57(56)58)75(115)93-54(10)68(108)100-87(16,17)80(120)99-67(52(8)26-2)76(116)97-65(50(5)6)77(117)104-86(14,15)79(119)95-59(45-49(3)4)71(111)102-89(20,21)82(122)105-42-32-39-62(105)72(112)92-53(9)69(109)101-88(18,19)81(121)107-44-34-41-64(107)74(114)103-90(22,23)83(123)106-43-33-40-63(106)73(113)94-61(78(118)125-24)46-55-35-28-27-29-36-55/h27-31,35-38,48-54,59-67,91H,25-26,32-34,39-47H2,1-24H3,(H,92,112)(H,93,115)(H,94,113)(H,95,119)(H,96,124)(H,97,116)(H,98,110)(H,99,120)(H,100,108)(H,101,109)(H,102,111)(H,103,114)(H,104,117)/t51-,52-,53-,54-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

BDRNGIBQDOUEHT-LQAFYBHPSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)OC)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)OC(C)(C)C