(2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-2-[3-[3-[[8-[[3-[[3-[[(2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]amino]-8-oxidanylidene-octanoyl]amino]propanoylamino]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-2-[3-[3-[[8-[[3-[[3-[[(2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]amino]-8-oxidanylidene-octanoyl]amino]propanoylamino]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[3-[3-[[8-[[3-[[3-[[(1S)-1-carboxy-4-[[(1R)-2-(carboxymethylamino)-1-[[(4-chlorophenyl)-hydroxy-carbamoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-4-oxo-butyl]amino]-3-oxo-propyl]amino]-3-oxo-propyl]amino]-8-oxo-octanoyl]amino]propanoylamino]propanoylamino]-5-[[(1R)-2-(carboxymethylamino)-1-[[(4-chlorophenyl)-hydroxy-carbamoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-[[(2R)-1-(carboxymethylamino)-3-[[(4-chloro-N-hydroxyanilino)-oxomethyl]thio]-1-oxopropan-2-yl]amino]-2-[[3-[[3-[[8-[[3-[[3-[[(2S)-5-[[(2R)-1-(carboxymethylamino)-3-[[(4-chloro-N-hydroxyanilino)-oxomethyl]thio]-1-oxopropan-2-yl]amino]-1-hydroxy-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-1,8-dioxooctyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-2-[3-[3-[[8-[[3-[[3-[[(2S)-5-[[(2R)-1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-1-hydroxy-1,5-dioxopentan-2-yl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-8-oxooctanoyl]amino]propanoylamino]propanoylamino]-5-oxopentanoic acid Traditional Name: (2S)-2-[3-[3-[[8-[[3-[[3-[[(1S)-1-carboxy-4-[[(1R)-2-(carboxymethylamino)-1-[[[(4-chlorophenyl)-hydroxy-carbamoyl]thio]methyl]-2-keto-ethyl]amino]-4-keto-butyl]amino]-3-keto-propyl]amino]-3-keto-propyl]amino]-8-keto-octanoyl]amino]propanoylamino]propanoylamino]-5-[[(1R)-2-(carboxymethylamino)-1-[[[(4-chlorophenyl)-hydroxy-carbamoyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C54H72Cl2N12O22S2 MolecularWeight: 1376.25268

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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)NC(=O)CCNC(=O)CCNC(=O)CCCCCCC(=O)NCCC(=O)NCCC(=O)NC(CCC(=O)NC(CSC(=O)N(C2=CC=C(C=C2)Cl)O)C(=O)NCC(=O)O)C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1N(C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCNC(=O)CCNC(=O)CCCCCCC(=O)NCCC(=O)NCCC(=O)N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(C2=CC=C(C=C2)Cl)O)C(=O)NCC(=O)O)C(=O)O)O)Cl

InChI

InChI=1S/C54H72Cl2N12O22S2/c55-31-7-11-33(12-8-31)67(89)53(87)91-29-37(49(81)61-27-47(77)78)65-43(73)17-15-35(51(83)84)63-45(75)21-25-59-41(71)19-23-57-39(69)5-3-1-2-4-6-40(70)58-24-20-42(72)60-26-22-46(76)64-36(52(85)86)16-18-44(74)66-38(50(82)62-28-48(79)80)30-92-54(88)68(90)34-13-9-32(56)10-14-34/h7-14,35-38,89-90H,1-6,15-30H2,(H,57,69)(H,58,70)(H,59,71)(H,60,72)(H,61,81)(H,62,82)(H,63,75)(H,64,76)(H,65,73)(H,66,74)(H,77,78)(H,79,80)(H,83,84)(H,85,86)/t35-,36-,37-,38-/m0/s1