N-(2-azanylethyl)-2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide

Systemtic Name: N-(2-azanylethyl)-2-[[2-[2-[2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide Openeye Name: N-(2-aminoethyl)-2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanamide CAS Name: N-(2-aminoethyl)-2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanamide IUPAC Name: N-(2-aminoethyl)-2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanamide Traditional Name: N-(2-aminoethyl)-4-(methylthio)-2-[[3-phenyl-2-[[2-[2-(tyrosylamino)propanoylamino]acetyl]amino]propanoyl]amino]butyramide Formula: C30H43N7O6S MolecularWeight: 629.77072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)NCCN)NC(=O)C(CC2=CC=C(C=C2)O)N

Isomeric SMILES

CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)NCCN)NC(=O)C(CC2=CC=C(C=C2)O)N

InChI

InChI=1S/C30H43N7O6S/c1-19(35-28(41)23(32)16-21-8-10-22(38)11-9-21)27(40)34-18-26(39)36-25(17-20-6-4-3-5-7-20)30(43)37-24(12-15-44-2)29(42)33-14-13-31/h3-11,19,23-25,38H,12-18,31-32H2,1-2H3,(H,33,42)(H,34,40)(H,35,41)(H,36,39)(H,37,43)