7-[(2R)-3-[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid

Systemtic Name: 7-[(2R)-3-[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(carboxymethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]heptanoic acid Openeye Name: 7-[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[(2R)-3-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[(2R)-3-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-(carboxymethylamino)-3-keto-propyl]thio]-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C30H49N3O10S MolecularWeight: 643.78916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1C(CC(=O)C1CCCCCCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O

InChI

InChI=1S/C30H49N3O10S/c1-2-3-6-9-19(34)12-13-21-20(10-7-4-5-8-11-27(37)38)24(35)16-25(21)44-18-23(29(41)32-17-28(39)40)33-26(36)15-14-22(31)30(42)43/h12-13,19-23,25,34H,2-11,14-18,31H2,1H3,(H,32,41)(H,33,36)(H,37,38)(H,39,40)(H,42,43)/b13-12+/t19-,20?,21+,22-,23-,25?/m0/s1