[6-azanyl-5-[[2-[(3-azanyl-4-naphthalen-2-yl-2-oxidanylidene-butyl)amino]-3-thiophen-2-yl-propanoyl]amino]-6-oxidanylidene-hexyl]carbamic acid

Systemtic Name: [6-azanyl-5-[[2-[(3-azanyl-4-naphthalen-2-yl-2-oxidanylidene-butyl)amino]-3-thiophen-2-yl-propanoyl]amino]-6-oxidanylidene-hexyl]carbamic acid Openeye Name: [6-amino-5-[[2-[[3-amino-4-(2-naphthyl)-2-oxo-butyl]amino]-3-(2-thienyl)propanoyl]amino]-6-oxo-hexyl]carbamic acid CAS Name: [6-amino-5-[[2-[[3-amino-4-(2-naphthalenyl)-2-oxobutyl]amino]-1-oxo-3-thiophen-2-ylpropyl]amino]-6-oxohexyl]carbamic acid IUPAC Name: [6-amino-5-[[2-[(3-amino-4-naphthalen-2-yl-2-oxobutyl)amino]-3-thiophen-2-ylpropanoyl]amino]-6-oxohexyl]carbamic acid Traditional Name: [6-amino-5-[[2-[[3-amino-2-keto-4-(2-naphthyl)butyl]amino]-3-(2-thienyl)propanoyl]amino]-6-keto-hexyl]carbamic acid Formula: C28H35N5O5S MolecularWeight: 553.673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)CNC(CC3=CC=CS3)C(=O)NC(CCCCNC(=O)O)C(=O)N)N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)CNC(CC3=CC=CS3)C(=O)NC(CCCCNC(=O)O)C(=O)N)N

InChI

InChI=1S/C28H35N5O5S/c29-22(15-18-10-11-19-6-1-2-7-20(19)14-18)25(34)17-32-24(16-21-8-5-13-39-21)27(36)33-23(26(30)35)9-3-4-12-31-28(37)38/h1-2,5-8,10-11,13-14,22-24,31-32H,3-4,9,12,15-17,29H2,(H2,30,35)(H,33,36)(H,37,38)