2-azanyl-N-[4-[6-[4-[[3-azanyl-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-5-methyl-2-oxidanylidene-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide hydrochloride

Systemtic Name: 2-azanyl-N-[4-[6-[4-[[3-azanyl-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-5-methyl-2-oxidanylidene-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide hydrochloride Openeye Name: 2-amino-N-[4-[6-[4-[[3-amino-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide hydrochloride CAS Name: 2-amino-N-[4-[6-[4-[[3-amino-2-(4-hydroxyphenyl)-1-oxopropyl]amino]butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide hydrochloride IUPAC Name: 2-amino-N-[4-[6-[4-[[3-amino-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-5-methyl-2-oxo-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propanamide hydrochloride Traditional Name: 2-amino-N-[4-[6-[4-[[3-amino-2-(4-hydroxyphenyl)propanoyl]amino]butyl]-2-keto-5-methyl-1H-pyrazin-3-yl]butyl]-3-(4-hydroxyphenyl)propionamide hydrochloride Formula: C31H43ClN6O5 MolecularWeight: 615.16332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)C(=N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCCCNC(=O)C(CN)C3=CC=C(C=C3)O.Cl

Isomeric SMILES

CC1=C(NC(=O)C(=N1)CCCCNC(=O)C(CC2=CC=C(C=C2)O)N)CCCCNC(=O)C(CN)C3=CC=C(C=C3)O.Cl

InChI

InChI=1S/C31H42N6O5.ClH/c1-20-27(6-2-4-16-34-29(40)25(19-32)22-10-14-24(39)15-11-22)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)18-21-8-12-23(38)13-9-21;/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42);1H