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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H63N13O7
Molecular Weight 946.1074
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AC-178335

SMILES

CC[C@@H](C)[C@@H](NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CNC=N2)NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](CC3=CNC4=C3C=CC=C4)C(=O)N[C@H](CC5=CC=CC=C5)C(N)=O

InChI

InChIKey=ADIUJENJSJKNSC-FKJNZLKYSA-N
InChI=1S/C49H63N13O7/c1-4-29(2)42(62-47(68)39(23-32-16-9-6-10-17-32)60-46(67)41(57-30(3)63)25-34-27-53-28-56-34)48(69)58-37(20-13-21-54-49(51)52)44(65)61-40(24-33-26-55-36-19-12-11-18-35(33)36)45(66)59-38(43(50)64)22-31-14-7-5-8-15-31/h5-12,14-19,26-29,37-42,55H,4,13,20-25H2,1-3H3,(H2,50,64)(H,53,56)(H,57,63)(H,58,69)(H,59,66)(H,60,67)(H,61,65)(H,62,68)(H4,51,52,54)/t29-,37-,38-,39-,40-,41-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula C49H63N13O7
Molecular Weight 946.1074
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:59:37 GMT 2025
Edited
by admin
on Mon Mar 31 21:59:37 GMT 2025
Record UNII
VL5KG0JL3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AC-178335
Common Name English
D-PHENYLALANINAMIDE, N-ACETYL-D-HISTIDYL-D-PHENYLALANYL-D-ISOLEUCYL-D-ARGINYL-D-TRYPTOPHYL-
Preferred Name English
Code System Code Type Description
FDA UNII
VL5KG0JL3S
Created by admin on Mon Mar 31 21:59:37 GMT 2025 , Edited by admin on Mon Mar 31 21:59:37 GMT 2025
PRIMARY
CAS
212966-15-9
Created by admin on Mon Mar 31 21:59:37 GMT 2025 , Edited by admin on Mon Mar 31 21:59:37 GMT 2025
PRIMARY
PUBCHEM
9832890
Created by admin on Mon Mar 31 21:59:37 GMT 2025 , Edited by admin on Mon Mar 31 21:59:37 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY