(2S)-6-azanyl-2-[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-[bis(azanyl)methylideneamino]butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(2-azanylethanoylamino)-4-[bis(azanyl)methylideneamino]butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-methyl-pentanoyl]amino]ethanoylamino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-guanidino-butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-4-(diaminomethylideneamino)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-(diaminomethylideneamino)butanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(glycylamino)-4-guanidino-butanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]acetyl]amino]hexanoic acid Formula: C42H71N13O11 MolecularWeight: 934.09364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCN=C(N)N)NC(=O)CN

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C42H71N13O11/c1-7-23(4)33(38(62)48-21-31(58)51-28(41(65)66)15-11-12-17-43)54-40(64)34(25(6)56)55-39(63)32(22(2)3)53-37(61)29(19-26-13-9-8-10-14-26)52-35(59)24(5)49-36(60)27(50-30(57)20-44)16-18-47-42(45)46/h8-10,13-14,22-25,27-29,32-34,56H,7,11-12,15-21,43-44H2,1-6H3,(H,48,62)(H,49,60)(H,50,57)(H,51,58)(H,52,59)(H,53,61)(H,54,64)(H,55,63)(H,65,66)(H4,45,46,47)/t23-,24-,25+,27-,28-,29-,32-,33-,34-/m0/s1