1-azido-N-[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-3,6,9,12-tetraoxapentadecan-15-amide

CAS: 2055024-64-9

Formula: C29H48N8O9

SMILES: CC(C)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)NC1=CC=C(CO)C=C1

IUPAC: 1-azido-N-[(1R)-1-{[(1S)-4-(carbamoylamino)-1-{[4-(hydroxymethyl)phenyl]carbamoyl}butyl]carbamoyl}-2-methylpropyl]-3,6,9,12-tetraoxapentadecan-15-amide

InChI: InChI=1S/C29H48N8O9/c1-21(2)26(36-25(39)9-12-43-14-16-45-18-19-46-17-15-44-13-11-33-37-31)28(41)35-24(4-3-10-32-29(30)42)27(40)34-23-7-5-22(20-38)6-8-23/h5-8,21,24,26,38H,3-4,9-20H2,1-2H3,(H,34,40)(H,35,41)(H,36,39)(H3,30,32,42)/t24-,26+/m0/s1

Composition: C (53.36%), H (7.41%), N (17.17%), O (22.06%)

Molar Mass: 652.75

Atom Count: 94

Heavy Atom Count: 46