methyl (2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(E)-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]but-2-enoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(E)-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-oxan-2-yl]but-2-enoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(E)-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]but-2-enoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-4-methyl-1-oxo-2-[[(E)-1-oxo-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyl-2-oxanyl]but-2-enyl]amino]pentyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(E)-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetyloxy-6-methyloxan-2-yl]but-2-enoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(2S)-4-methyl-2-[[(E)-4-[(2S,3R,4R,5R,6S)-3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl]but-2-enoyl]amino]pentanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C31H47N3O12 MolecularWeight: 653.71778

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)CC=CC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)N2CCCC2C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C/C=C/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C31H47N3O12/c1-16(2)15-22(29(39)32-17(3)30(40)34-14-10-11-23(34)31(41)42-8)33-25(38)13-9-12-24-27(45-20(6)36)28(46-21(7)37)26(18(4)43-24)44-19(5)35/h9,13,16-18,22-24,26-28H,10-12,14-15H2,1-8H3,(H,32,39)(H,33,38)/b13-9+/t17-,18-,22-,23-,24-,26+,27+,28+/m0/s1