(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-(2-azanylethanoylamino)-4-methylsulfanyl-butanoyl]pyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-(glycylamino)-4-(methylthio)butanoyl]prolyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-phenyl-propionic acid Formula: C40H65N11O9S MolecularWeight: 876.0774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(C)C)NC(=O)CNC(=O)C2CCCN2C(=O)C(CCSC)NC(=O)CN

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCSC)NC(=O)CN

InChI

InChI=1S/C40H65N11O9S/c1-23(2)19-28(35(55)47-26(13-9-16-44-40(42)43)34(54)49-29(39(59)60)20-25-11-7-6-8-12-25)48-37(57)33(24(3)4)50-32(53)22-45-36(56)30-14-10-17-51(30)38(58)27(15-18-61-5)46-31(52)21-41/h6-8,11-12,23-24,26-30,33H,9-10,13-22,41H2,1-5H3,(H,45,56)(H,46,52)(H,47,55)(H,48,57)(H,49,54)(H,50,53)(H,59,60)(H4,42,43,44)/t26-,27-,28-,29-,30-,33-/m0/s1