tert-butyl N-[(2S)-4-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-bis(oxidanylidene)-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-hydroxy-3-[[(3S,6S)-6-[(1S)-1-methylpropyl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]propyl]carbamate CAS Name: N-[(2S)-4-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-[[(3S,6S)-6-[(2S)-butan-2-yl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-3-[[(3S,6S)-4,7-diketo-6-[(1S)-1-methylpropyl]-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C33H48N4O6 MolecularWeight: 596.75742

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)NCCCOC2=CC=C(CC(C(=O)N1)NCC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C=C2

Isomeric SMILES

CC[C@H](C)[C@H]1C(=O)NCCCOC2=CC=C(C[C@@H](C(=O)N1)NCC([C@H](CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)C=C2

InChI

InChI=1S/C33H48N4O6/c1-6-22(2)29-31(40)34-17-10-18-42-25-15-13-24(14-16-25)20-27(30(39)37-29)35-21-28(38)26(19-23-11-8-7-9-12-23)36-32(41)43-33(3,4)5/h7-9,11-16,22,26-29,35,38H,6,10,17-21H2,1-5H3,(H,34,40)(H,36,41)(H,37,39)/t22-,26-,27-,28?,29-/m0/s1