(2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(R)-[(4-iodophenyl)-oxidanyl-amino]-oxidanyl-methyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[(R)-[(4-iodophenyl)-oxidanyl-amino]-oxidanyl-methyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[(R)-hydroxy-(N-hydroxy-4-iodo-anilino)methyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(R)-hydroxy-(N-hydroxy-4-iodoanilino)methyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(R)-hydroxy-(N-hydroxy-4-iodoanilino)methyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[[(R)-hydroxy-(N-hydroxy-4-iodo-anilino)methyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H23IN4O8S MolecularWeight: 570.35599

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I

Isomeric SMILES

C1=CC(=CC=C1N([C@H](O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O)I

InChI

InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-,17+/m0/s1