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

Details

Stereochemistry ABSOLUTE
Molecular Formula C49H77N17O15S4
Molecular Weight 1272.501
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [REPLICASE POLYPROTEIN 1A (HUMAN SARS CORONAVIRUS) NSP10 PEPTIDE (K12-69-80)]

SMILES

CC(C)C[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)CNC(=O)CN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CNC=N2)C(O)=O

InChI

InChIKey=PAWALTXRSMCTAC-ODTHDHSBSA-N
InChI=1S/C49H77N17O15S4/c1-23(2)11-29(59-45(77)34(19-83)66-47(79)36(21-85)65-43(75)32(17-67)62-39(71)24(3)57-38(70)16-55-37(69)14-50)41(73)60-30(12-25-6-8-27(68)9-7-25)42(74)64-33(18-82)44(76)58-28(5-4-10-54-49(51)52)40(72)63-35(20-84)46(78)61-31(48(80)81)13-26-15-53-22-56-26/h6-9,15,22-24,28-36,67-68,82-85H,4-5,10-14,16-21,50H2,1-3H3,(H,53,56)(H,55,69)(H,57,70)(H,58,76)(H,59,77)(H,60,73)(H,61,78)(H,62,71)(H,63,72)(H,64,74)(H,65,75)(H,66,79)(H,80,81)(H4,51,52,54)/t24-,28-,29-,30-,31-,32-,33-,34-,35-,36-/m0/s1

HIDE SMILES / InChI

Approval Year