(3S)-3-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-5-azanyl-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxidanylidene-pentanoyl]amino]-4-(carboxymethylamino)-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]-4-(carboxymethylamino)-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-1,5-dioxopentyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-(glycylamino)-5-guanidino-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]-3-methyl-butanoyl]amino]-5-keto-pentanoyl]amino]-4-(carboxymethylamino)-4-keto-butyric acid Formula: C33H58N12O12S MolecularWeight: 846.95182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CN

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C33H58N12O12S/c1-15(2)10-19(42-28(53)17(40-23(47)12-34)6-5-9-38-33(36)37)30(55)44-21(14-58)31(56)45-26(16(3)4)32(57)41-18(7-8-22(35)46)29(54)43-20(11-24(48)49)27(52)39-13-25(50)51/h15-21,26,58H,5-14,34H2,1-4H3,(H2,35,46)(H,39,52)(H,40,47)(H,41,57)(H,42,53)(H,43,54)(H,44,55)(H,45,56)(H,48,49)(H,50,51)(H4,36,37,38)/t17-,18-,19-,20-,21-,26-/m0/s1