5-[[2-[[6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-[[6-[bis(azanyl)methylideneamino]-1-chloranyl-2-oxidanylidene-hexan-3-yl]amino]-2-oxidanylidene-ethyl]amino]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[2-[[1-(2-chloroacetyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-4-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-[[2-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-4-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-[[2-[[1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-[[2-[[1-(2-chloroacetyl)-4-guanidino-butyl]amino]-2-keto-ethyl]amino]-5-keto-4-(naphthionylamino)valeric acid Formula: C26H36ClN7O7S MolecularWeight: 626.12474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)CCl

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)CCl

InChI

InChI=1S/C26H36ClN7O7S/c1-34(2)20-9-3-7-17-16(20)6-4-10-22(17)42(40,41)33-19(11-12-24(37)38)25(39)31-15-23(36)32-18(21(35)14-27)8-5-13-30-26(28)29/h3-4,6-7,9-10,18-19,33H,5,8,11-15H2,1-2H3,(H,31,39)(H,32,36)(H,37,38)(H4,28,29,30)