(2S,5R,6R)-6-[[2-[2-[(2,3-diacetyloxyphenyl)carbonyl-[6-[(2,3-diacetyloxyphenyl)carbonyl-[6-[(2,3-diacetyloxyphenyl)carbonylamino]hexyl]amino]hexyl]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,5R,6R)-6-[[2-[2-[(2,3-diacetyloxyphenyl)carbonyl-[6-[(2,3-diacetyloxyphenyl)carbonyl-[6-[(2,3-diacetyloxyphenyl)carbonylamino]hexyl]amino]hexyl]amino]ethanoylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,5R,6R)-6-[[2-[[2-[(2,3-diacetoxybenzoyl)-[6-[(2,3-diacetoxybenzoyl)-[6-[(2,3-diacetoxybenzoyl)amino]hexyl]amino]hexyl]amino]acetyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,5R,6R)-6-[[2-[[2-[[(2,3-diacetyloxyphenyl)-oxomethyl]-[6-[[(2,3-diacetyloxyphenyl)-oxomethyl]-[6-[[(2,3-diacetyloxyphenyl)-oxomethyl]amino]hexyl]amino]hexyl]amino]-1-oxoethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,5R,6R)-6-[[2-[[2-[(2,3-diacetyloxybenzoyl)-[6-[(2,3-diacetyloxybenzoyl)-[6-[(2,3-diacetyloxybenzoyl)amino]hexyl]amino]hexyl]amino]acetyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,5R,6R)-6-[[2-[[2-[(2,3-diacetoxybenzoyl)-[6-[(2,3-diacetoxybenzoyl)-[6-[(2,3-diacetoxybenzoyl)amino]hexyl]amino]hexyl]amino]acetyl]amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C63H72N6O20S MolecularWeight: 1265.33898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)NCCCCCCN(CCCCCCN(CC(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)C(=O)C5=C(C(=CC=C5)OC(=O)C)OC(=O)C)C(=O)C6=C(C(=CC=C6)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1OC(=O)C)C(=O)NCCCCCCN(CCCCCCN(CC(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)C(=O)C5=C(C(=CC=C5)OC(=O)C)OC(=O)C)C(=O)C6=C(C(=CC=C6)OC(=O)C)OC(=O)C

InChI

InChI=1S/C63H72N6O20S/c1-36(70)84-46-28-20-25-43(52(46)87-39(4)73)56(77)64-31-16-9-10-17-32-67(58(79)44-26-21-29-47(85-37(2)71)53(44)88-40(5)74)33-18-11-12-19-34-68(59(80)45-27-22-30-48(86-38(3)72)54(45)89-41(6)75)35-49(76)65-50(42-23-14-13-15-24-42)57(78)66-51-60(81)69-55(62(82)83)63(7,8)90-61(51)69/h13-15,20-30,50-51,55,61H,9-12,16-19,31-35H2,1-8H3,(H,64,77)(H,65,76)(H,66,78)(H,82,83)/t50?,51-,55+,61-/m1/s1