(2S)-3-[4-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]phenyl]-N-[2-[[(2R)-2-azanylpropanoyl]amino]ethanoyl]-2-[methyl-[2-[methyl(oxidanyl)amino]propyl]amino]propanamide

Systemtic Name: (2S)-3-[4-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]phenyl]-N-[2-[[(2R)-2-azanylpropanoyl]amino]ethanoyl]-2-[methyl-[2-[methyl(oxidanyl)amino]propyl]amino]propanamide Openeye Name: (2S)-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]phenyl]-N-[2-[[(2R)-2-aminopropanoyl]amino]acetyl]-2-[2-[hydroxy(methyl)amino]propyl-methyl-amino]propanamide CAS Name: (2S)-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]phenyl]-N-[2-[[(2R)-2-amino-1-oxopropyl]amino]-1-oxoethyl]-2-[2-[hydroxy(methyl)amino]propyl-methylamino]propanamide IUPAC Name: (2S)-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]phenyl]-N-[2-[[(2R)-2-aminopropanoyl]amino]acetyl]-2-[2-[hydroxy(methyl)amino]propyl-methylamino]propanamide Traditional Name: (2S)-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]phenyl]-N-[2-[[(2R)-2-aminopropanoyl]amino]acetyl]-2-[2-[hydroxy(methyl)amino]propyl-methyl-amino]propionamide Formula: C28H40N6O6 MolecularWeight: 556.6538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(CC1=CC=C(C=C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(=O)CNC(=O)C(C)N)N(C)O

Isomeric SMILES

C[C@H](C(=O)NCC(=O)NC(=O)[C@H](CC1=CC=C(C=C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)N(C)CC(C)N(C)O)N

InChI

InChI=1S/C28H40N6O6/c1-17(34(4)40)16-33(3)24(28(39)32-25(36)15-31-27(38)18(2)29)14-20-5-9-21(10-6-20)26(37)23(30)13-19-7-11-22(35)12-8-19/h5-12,17-18,23-24,35,40H,13-16,29-30H2,1-4H3,(H,31,38)(H,32,36,39)/t17?,18-,23+,24+/m1/s1