U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C98H164N38O29S2
Molecular Weight 2402.718
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Quazomotide

SMILES

CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=ARPXPQWBIFSBKF-AHEPKYPGSA-N
InChI=1S/C98H164N38O29S2/c1-46(2)31-61(126-82(151)58(20-22-73(142)143)121-90(159)67(38-74(144)145)132-92(161)69(42-137)134-77(146)53(100)15-12-26-113-96(104)105)91(160)135-75(48(5)6)93(162)124-56(18-14-28-115-98(108)109)79(148)127-63(34-51-40-111-44-117-51)86(155)129-64(35-52-41-112-45-118-52)87(156)131-66(37-72(103)141)89(158)122-59(23-29-166-8)83(152)128-62(33-50-39-110-43-116-50)85(154)120-57(19-21-70(101)139)81(150)119-55(17-13-27-114-97(106)107)78(147)130-65(36-71(102)140)88(157)123-60(24-30-167-9)84(153)136-76(49(7)138)94(163)125-54(16-10-11-25-99)80(149)133-68(95(164)165)32-47(3)4/h39-41,43-49,53-69,75-76,137-138H,10-38,42,99-100H2,1-9H3,(H2,101,139)(H2,102,140)(H2,103,141)(H,110,116)(H,111,117)(H,112,118)(H,119,150)(H,120,154)(H,121,159)(H,122,158)(H,123,157)(H,124,162)(H,125,163)(H,126,151)(H,127,148)(H,128,152)(H,129,155)(H,130,147)(H,131,156)(H,132,161)(H,133,149)(H,134,146)(H,135,160)(H,136,153)(H,142,143)(H,144,145)(H,164,165)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)/t49-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,75+,76+/m1/s1

HIDE SMILES / InChI

Molecular Formula C98H164N38O29S2
Molecular Weight 2402.718
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 20 / 20
E/Z Centers 14
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:53:03 GMT 2023
Edited
by admin
on Sat Dec 16 11:53:03 GMT 2023
Record UNII
WYT2ZC05X2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Quazomotide
INN  
Official Name English
WT1-427 LONG
Common Name English
quazomotide [INN]
Common Name English
ARG-SER-ASP-GLU-LEU-VAL-ARG-HIS-HIS-ASN-MET-HIS-GLN-ARG-ASN-MET-THR-LYS-LEU
Systematic Name English
WT-1 427 LONG
Common Name English
Code System Code Type Description
CAS
935395-33-8
Created by admin on Sat Dec 16 11:53:03 GMT 2023 , Edited by admin on Sat Dec 16 11:53:03 GMT 2023
PRIMARY
FDA UNII
WYT2ZC05X2
Created by admin on Sat Dec 16 11:53:03 GMT 2023 , Edited by admin on Sat Dec 16 11:53:03 GMT 2023
PRIMARY
NCI_THESAURUS
C199097
Created by admin on Sat Dec 16 11:53:03 GMT 2023 , Edited by admin on Sat Dec 16 11:53:03 GMT 2023
PRIMARY
INN
12585
Created by admin on Sat Dec 16 11:53:03 GMT 2023 , Edited by admin on Sat Dec 16 11:53:03 GMT 2023
PRIMARY
PUBCHEM
121490081
Created by admin on Sat Dec 16 11:53:03 GMT 2023 , Edited by admin on Sat Dec 16 11:53:03 GMT 2023
PRIMARY