(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-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-[[(2R)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-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-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]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-[[(2R)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]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-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]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-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-isoamyl-4-methyl-valeramide Formula: C40H52N6O5 MolecularWeight: 696.87808

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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)C(CC4=CC=C(C=C4)O)N

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)[C@@H](CC4=CC=C(C=C4)O)N

InChI

InChI=1S/C40H52N6O5/c1-25(2)18-19-42-38(49)34(20-26(3)4)45-40(51)36(23-29-24-43-33-13-9-8-12-31(29)33)46-39(50)35(22-27-10-6-5-7-11-27)44-37(48)32(41)21-28-14-16-30(47)17-15-28/h5-17,24-26,32,34-36,43,47H,18-23,41H2,1-4H3,(H,42,49)(H,44,48)(H,45,51)(H,46,50)/t32-,34+,35+,36-/m1/s1