(E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxo-pent-2-enoic acid CAS Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-5-oxo-2-pentenoic acid IUPAC Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopent-2-enoic acid Traditional Name: (E,4R)-4-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-keto-pent-2-enoic acid Formula: C31H44N6O7 MolecularWeight: 612.71706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C=CC(=O)O)C=O)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](/C=C/C(=O)O)C=O)N

InChI

InChI=1S/C31H44N6O7/c1-17(2)12-24(35-28(41)19(5)32)30(43)36-25(13-18(3)4)31(44)37-26(29(42)34-21(16-38)10-11-27(39)40)14-20-15-33-23-9-7-6-8-22(20)23/h6-11,15-19,21,24-26,33H,12-14,32H2,1-5H3,(H,34,42)(H,35,41)(H,36,43)(H,37,44)(H,39,40)/b11-10+/t19-,21+,24+,25-,26+/m0/s1