2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S,3S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-4-azanyl-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-4-oxidanylidene-butanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-pentanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-oxo-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid CAS Name: 2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-1,4-dioxobutyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]acetic acid IUPAC Name: 2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]acetic acid Traditional Name: 2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-4-keto-butanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-pentanoyl]amino]acetic acid Formula: C36H58N12O10 MolecularWeight: 818.92012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C36H58N12O10/c1-5-20(4)30(35(58)44-18-28(52)53)48-33(56)22(12-9-13-41-36(39)40)45-26(50)16-42-31(54)23(14-21-10-7-6-8-11-21)46-27(51)17-43-32(55)24(15-25(37)49)47-34(57)29(38)19(2)3/h6-8,10-11,19-20,22-24,29-30H,5,9,12-18,38H2,1-4H3,(H2,37,49)(H,42,54)(H,43,55)(H,44,58)(H,45,50)(H,46,51)(H,47,57)(H,48,56)(H,52,53)(H4,39,40,41)/t20-,22-,23-,24-,29-,30-/m0/s1