(phenylmethyl) (3R)-3-azanyl-5-[[(2R,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (3R)-3-azanyl-5-[[(2R,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-azanyl-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]methyl]-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]methylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (3R)-3-amino-5-[[(2R,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-benzyloxy-5-oxo-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-benzyloxy-5-oxo-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-amino-5-benzyloxy-5-oxo-pentanoyl]amino]methyl]-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]methylamino]-5-oxo-pentanoate CAS Name: (3R)-3-amino-5-[[(2R,4R,5S,6S)-6-[[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-1,5-dioxo-5-phenylmethoxypentyl]amino]methyl]-6-[[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-1,5-dioxo-5-phenylmethoxypentyl]amino]methyl]-6-[[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-amino-1,5-dioxo-5-phenylmethoxypentyl]amino]methyl]-4,5-dihydroxy-6-methoxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]methylamino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-amino-5-[[(2R,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-oxo-5-phenylmethoxypentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-oxo-5-phenylmethoxypentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-amino-5-oxo-5-phenylmethoxypentanoyl]amino]methyl]-4,5-dihydroxy-6-methoxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methylamino]-5-oxopentanoate Traditional Name: (3R)-3-amino-5-[[(2R,4R,5S,6S)-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-benzoxy-5-keto-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6S)-2-[[[(3R)-3-amino-5-benzoxy-5-keto-pentanoyl]amino]methyl]-6-[(2S,3R,4S,5S,6R)-2-[[[(3R)-3-amino-5-benzoxy-5-keto-pentanoyl]amino]methyl]-4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]methylamino]-5-keto-valeric acid benzyl ester Formula: C73H100N8O28 MolecularWeight: 1537.6119

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)CNC(=O)CC(CC(=O)OCC2=CC=CC=C2)N)OC3C(C(C(C(O3)CNC(=O)CC(CC(=O)OCC4=CC=CC=C4)N)OC5C(C(C(C(O5)CNC(=O)CC(CC(=O)OCC6=CC=CC=C6)N)OC7C(C(CC(O7)CNC(=O)CC(CC(=O)OCC8=CC=CC=C8)N)O)O)O)O)O)O)O)O

Isomeric SMILES

CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CNC(=O)C[C@H](CC(=O)OCC2=CC=CC=C2)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CNC(=O)C[C@H](CC(=O)OCC4=CC=CC=C4)N)O[C@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CNC(=O)C[C@H](CC(=O)OCC6=CC=CC=C6)N)O[C@H]7[C@H]([C@@H](C[C@@H](O7)CNC(=O)C[C@H](CC(=O)OCC8=CC=CC=C8)N)O)O)O)O)O)O)O)O

InChI

InChI=1S/C73H100N8O28/c1-98-70-64(95)61(92)67(49(104-70)32-79-53(84)23-44(75)27-57(88)100-36-40-16-8-3-9-17-40)108-72-66(97)63(94)69(51(106-72)34-81-55(86)25-46(77)29-59(90)102-38-42-20-12-5-13-21-42)109-73-65(96)62(93)68(50(105-73)33-80-54(85)24-45(76)28-58(89)101-37-41-18-10-4-11-19-41)107-71-60(91)48(82)30-47(103-71)31-78-52(83)22-43(74)26-56(87)99-35-39-14-6-2-7-15-39/h2-21,43-51,60-73,82,91-97H,22-38,74-77H2,1H3,(H,78,83)(H,79,84)(H,80,85)(H,81,86)/t43-,44-,45-,46-,47-,48-,49+,50+,51+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73+/m1/s1