(2S)-5-(aminocarbonylamino)-2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoate

Systemtic Name: (2S)-5-(aminocarbonylamino)-2-[3-(7-methoxy-4,8-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]pentanoate Openeye Name: (2S)-2-[3-(7-methoxy-4,8-dimethyl-2-oxo-chromen-3-yl)propanoylamino]-5-ureido-pentanoate CAS Name: (2S)-5-(carbamoylamino)-2-[[3-(7-methoxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]pentanoate IUPAC Name: (2S)-5-(carbamoylamino)-2-[3-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]pentanoate Traditional Name: (2S)-2-[3-(2-keto-7-methoxy-4,8-dimethyl-chromen-3-yl)propanoylamino]-5-ureido-valerate Formula: C21H26N3O7- MolecularWeight: 432.44704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)NC(CCCNC(=O)N)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC)CCC(=O)N[C@@H](CCCNC(=O)N)C(=O)[O-]

InChI

InChI=1S/C21H27N3O7/c1-11-13-6-8-16(30-3)12(2)18(13)31-20(28)14(11)7-9-17(25)24-15(19(26)27)5-4-10-23-21(22)29/h6,8,15H,4-5,7,9-10H2,1-3H3,(H,24,25)(H,26,27)(H3,22,23,29)/p-1/t15-/m0/s1