methyl (2S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{3-[(2S)-2-[(2S)-2-[(tert-butoxycarbonyl)amino]-3-methylbutanamido]propanamido]-5-(hydroxymethyl)phenoxy}oxane-2-carboxylate

CAS: 2460461-33-8

Formula: C33H47N3O15

SMILES: COC(=O)[C@H]1O[C@@H](OC2=CC(CO)=CC(NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)=C2)[C@H](OC(C)=O)[C@@H](OC(C)=O)C1OC(C)=O

IUPAC: methyl (2S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanamido]propanamido]-5-(hydroxymethyl)phenoxy}oxane-2-carboxylate

InChI: InChI=1S/C33H47N3O15/c1-15(2)23(36-32(44)51-33(7,8)9)29(42)34-16(3)28(41)35-21-11-20(14-37)12-22(13-21)49-31-27(48-19(6)40)25(47-18(5)39)24(46-17(4)38)26(50-31)30(43)45-10/h11-13,15-16,23-27,31,37H,14H2,1-10H3,(H,34,42)(H,35,41)(H,36,44)/t16-,23-,24?,25-,

Composition: C (54.61%), H (6.53%), N (5.79%), O (33.07%)

Molar Mass: 725.745

Atom Count: 98

Heavy Atom Count: 51