(2S)-2-[[(2R)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-(3-methylbutyl)pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-(3-methylbutyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-isopentyl-4-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-N-(3-methylbutyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-N-(3-methylbutyl)pentanamide Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[2-(4-hydroxyphenyl)acetyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-isoamyl-4-methyl-valeramide Formula: C39H49N5O5 MolecularWeight: 667.83686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)O

InChI

InChI=1S/C39H49N5O5/c1-25(2)18-19-40-37(47)33(20-26(3)4)43-39(49)35(23-29-24-41-32-13-9-8-12-31(29)32)44-38(48)34(21-27-10-6-5-7-11-27)42-36(46)22-28-14-16-30(45)17-15-28/h5-17,24-26,33-35,41,45H,18-23H2,1-4H3,(H,40,47)(H,42,46)(H,43,49)(H,44,48)/t33-,34-,35+/m0/s1