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

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

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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=CC=CC=C1)NC(=O)OC(C)(C)C

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=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H50N6O6/c1-9-19(2)23(26(39)41-29(3,4)5)36-24(37)21(16-13-17-33-27(31)32)34-25(38)22(18-20-14-11-10-12-15-20)35-28(40)42-30(6,7)8/h10-12,14-15,19,21-23H,9,13,16-18H2,1-8H3,(H,34,38)(H,35,40)(H,36,37)(H4,31,32,33)/t19-,21-,22-,23-/m0/s1