(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-azanyl-10,10-bis(chloranyl)-2-oxidanyl-decanoyl]amino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-azanyl-10,10-bis(chloranyl)-2-oxidanyl-decanoyl]amino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10,10-dichloro-2-hydroxy-decanoyl]amino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10,10-dichloro-2-hydroxy-1-oxodecyl]amino]-3-methyl-1-oxopentyl]-methylamino]-4-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10,10-dichloro-2-hydroxydecanoyl]amino]-3-methylpentanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2R,3R)-3-amino-10,10-dichloro-2-hydroxy-decanoyl]amino]-3-methyl-pentanoyl]-methyl-amino]-4-methyl-pentanoyl]proline Formula: C28H50Cl2N4O6 MolecularWeight: 609.6258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)O)NC(=O)C(C(CCCCCCC(Cl)Cl)N)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]([C@@H](CCCCCCC(Cl)Cl)N)O

InChI

InChI=1S/C28H50Cl2N4O6/c1-6-18(4)23(32-25(36)24(35)19(31)12-9-7-8-10-14-22(29)30)27(38)33(5)21(16-17(2)3)26(37)34-15-11-13-20(34)28(39)40/h17-24,35H,6-16,31H2,1-5H3,(H,32,36)(H,39,40)/t18-,19+,20-,21-,23-,24+/m0/s1