6-azanyl-4-(2-azanylethyl)-3-(2-azanylhexanoyl)-2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-3-phenyl-propanoyl)-2-formamido-5-oxidanylidene-decanoic acid

Systemtic Name: 6-azanyl-4-(2-azanylethyl)-3-(2-azanylhexanoyl)-2-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-4-(2-azanyl-4-methyl-pentanoyl)-3-(2-azanyl-3-phenyl-propanoyl)-2-formamido-5-oxidanylidene-decanoic acid Openeye Name: 6-amino-4-(2-aminoethyl)-3-(2-aminohexanoyl)-2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-(2-amino-4-methyl-pentanoyl)-3-(2-amino-3-phenyl-propanoyl)-2-formamido-5-oxo-decanoic acid CAS Name: 6-amino-4-(2-aminoethyl)-2-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-4-(2-amino-4-methyl-1-oxopentyl)-3-(2-amino-1-oxohexyl)-3-(2-amino-1-oxo-3-phenylpropyl)-2-formamido-5-oxodecanoic acid IUPAC Name: 6-amino-4-(2-aminoethyl)-3-(2-aminohexanoyl)-2-[2-amino-3-(4-hydroxyphenyl)propanoyl]-4-(2-amino-4-methylpentanoyl)-3-(2-amino-3-phenylpropanoyl)-2-formamido-5-oxodecanoic acid Traditional Name: 6-amino-4-(2-aminoethyl)-3-(2-aminohexanoyl)-4-(2-amino-4-methyl-pentanoyl)-2-formamido-5-keto-3-phenylalanyl-2-tyrosyl-capric acid Formula: C43H65N7O9 MolecularWeight: 824.0177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(CCN)(C(=O)C(CC(C)C)N)C(C(=O)C(CCCC)N)(C(=O)C(CC1=CC=CC=C1)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)NC=O)N

Isomeric SMILES

CCCCC(C(=O)C(CCN)(C(=O)C(CC(C)C)N)C(C(=O)C(CCCC)N)(C(=O)C(CC1=CC=CC=C1)N)C(C(=O)C(CC2=CC=C(C=C2)O)N)(C(=O)O)NC=O)N

InChI

InChI=1S/C43H65N7O9/c1-5-7-14-30(45)35(53)41(20-21-44,36(54)32(47)22-26(3)4)42(37(55)31(46)15-8-6-2,38(56)33(48)23-27-12-10-9-11-13-27)43(40(58)59,50-25-51)39(57)34(49)24-28-16-18-29(52)19-17-28/h9-13,16-19,25-26,30-34,52H,5-8,14-15,20-24,44-49H2,1-4H3,(H,50,51)(H,58,59)