methyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-(4-bromanyl-2-methanoyl-phenoxy)ethanoylamino]-3-oxidanyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(4-bromo-2-formylphenoxy)-1-oxoethyl]amino]-3-hydroxy-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(4-bromo-2-formylphenoxy)acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[2-(4-bromo-2-formyl-phenoxy)acetyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C30H35BrN4O8 MolecularWeight: 659.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)C(CO)NC(=O)COC3=C(C=C(C=C3)Br)C=O

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OC)NC(=O)[C@H](CO)NC(=O)COC3=C(C=C(C=C3)Br)C=O

InChI

InChI=1S/C30H35BrN4O8/c1-17(2)10-23(28(39)35-24(30(41)42-3)12-18-13-32-22-7-5-4-6-21(18)22)34-29(40)25(15-37)33-27(38)16-43-26-9-8-20(31)11-19(26)14-36/h4-9,11,13-14,17,23-25,32,37H,10,12,15-16H2,1-3H3,(H,33,38)(H,34,40)(H,35,39)/t23-,24-,25-/m0/s1