tert-butyl (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C30H50N6O6 MolecularWeight: 590.7546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H50N6O6/c1-19(2)17-23(26(39)41-29(3,4)5)35-24(37)21(15-12-16-33-27(31)32)34-25(38)22(18-20-13-10-9-11-14-20)36-28(40)42-30(6,7)8/h9-11,13-14,19,21-23H,12,15-18H2,1-8H3,(H,34,38)(H,35,37)(H,36,40)(H4,31,32,33)/t21-,22-,23-/m0/s1