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Substance Name: D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-
RN: 112602-63-8
UNII: F0ZTQ9477O
InChIKey: CJYBENVAJFXMJX-YKJOSNDESA-N

Molecular Weight

  • 1486.1343
 
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Names and Synonyms

Name of Substance

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-3-(3-pyridinyl)-D-alanyl-4-chloro-D-phenylalanyl-L-seryl-L-arginyl-5-(4-methoxyphenyl)-5-oxo-D-norvalyl-L-leucyl-L-arginyl-L-prolyl-

Synonym

  • UNII-F0ZTQ9477O

Registry Numbers

CAS Registry Number

  • 112602-63-8

FDA UNII

  • F0ZTQ9477O

System Generated Number

  • 0112602638

Structure Descriptors

InChI

1S/C73H97ClN18O14/c1-41(2)34-55(65(99)87-54(16-10-32-82-73(78)79)71(105)92-33-11-17-60(92)70(104)83-42(3)62(75)96)88-64(98)53(28-29-61(95)48-22-26-51(106-5)27-23-48)86-63(97)52(15-9-31-81-72(76)77)85-69(103)59(40-93)91-68(102)57(36-44-19-24-50(74)25-20-44)89-67(101)58(38-46-12-8-30-80-39-46)90-66(100)56(84-43(4)94)37-45-18-21-47-13-6-7-14-49(47)35-45/h6-8,12-14,18-27,30,35,39,41-42,52-60,93H,9-11,15-17,28-29,31-34,36-38,40H2,1-5H3,(H2,75,96)(H,83,104)(H,84,94)(H,85,103)(H,86,97)(H,87,99)(H,88,98)(H,89,101)(H,90,100)(H,91,102)(H4,76,77,81)(H4,78,79,82)/t42-,52+,53-,54+,55+,56-,57-,58-,59+,60+/m1/s1

InChIKey

CJYBENVAJFXMJX-YKJOSNDESA-N

Smiles

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)c2ccc(cc2)OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3ccc(cc3)Cl)NC(=O)[C@@H](Cc4cccnc4)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C