ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-(1H-indol-3-ylcarbonylamino)-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-5-azanyl-2-[[(2S)-2-(1H-indol-3-ylcarbonylamino)-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-6-methyl-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(1H-indole-3-carbonylamino)-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-6-methyl-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[1H-indol-3-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-6-methyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(1H-indole-3-carbonylamino)-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-6-methylhept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-5-amino-2-[[(2S)-2-(1H-indole-3-carbonylamino)-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-6-methyl-hept-2-enoic acid ethyl ester Formula: C29H41N5O6 MolecularWeight: 555.66574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC(C)C)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)C)NC(=O)C1=CNC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C29H41N5O6/c1-6-40-25(36)14-11-19(15-17(2)3)32-28(38)23(12-13-24(30)35)33-29(39)26(18(4)5)34-27(37)21-16-31-22-10-8-7-9-20(21)22/h7-11,14,16-19,23,26,31H,6,12-13,15H2,1-5H3,(H2,30,35)(H,32,38)(H,33,39)(H,34,37)/b14-11+/t19-,23+,26+/m1/s1