(3S)-3-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-pentan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-[[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]pentanoyl]amino]-4-[[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-[[(1S)-1-tert-butoxycarbonyl-3-methyl-butyl]amino]-4-keto-butyric acid Formula: C36H56N8O9 MolecularWeight: 744.87804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H56N8O9/c1-20(2)16-27(32(50)52-35(3,4)5)43-31(49)26(18-28(45)46)42-29(47)24(14-11-15-39-33(37)38)41-30(48)25(44-34(51)53-36(6,7)8)17-21-19-40-23-13-10-9-12-22(21)23/h9-10,12-13,19-20,24-27,40H,11,14-18H2,1-8H3,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,46)(H4,37,38,39)/t24-,25-,26-,27-/m0/s1