tert-butyl (2S,3S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-methyl-pentanoate

Systemtic Name: tert-butyl (2S,3S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-methyl-pentanoate Openeye Name: tert-butyl (2S,3S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-1-oxopentyl]amino]-3-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-valeric acid tert-butyl ester Formula: C42H53N7O6 MolecularWeight: 751.91352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C42H53N7O6/c1-6-25(2)36(39(52)55-42(3,4)5)49-37(50)34(20-13-21-45-40(43)44)47-38(51)35(22-26-23-46-33-19-12-11-14-27(26)33)48-41(53)54-24-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h7-12,14-19,23,25,32,34-36,46H,6,13,20-22,24H2,1-5H3,(H,47,51)(H,48,53)(H,49,50)(H4,43,44,45)/t25-,34-,35-,36-/m0/s1