(2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-4-azanyl-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-2-[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]ethanoylamino]propanoyl]amino]pentanoyl]amino]-4-oxidanylidene-butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-oxo-butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-4-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxoethyl]amino]-1-oxopropyl]amino]-1-oxopentyl]amino]-1,4-dioxobutyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-4-amino-2-[[(2S)-5-guanidino-2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]acetyl]amino]propanoyl]amino]pentanoyl]amino]-4-keto-butanoyl]amino]glutaric acid Formula: C31H53N11O11 MolecularWeight: 755.81962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C31H53N11O11/c1-15(2)12-20(41-27(49)17-6-4-10-35-17)26(48)37-14-23(44)38-16(3)25(47)39-18(7-5-11-36-31(33)34)28(50)42-21(13-22(32)43)29(51)40-19(30(52)53)8-9-24(45)46/h15-21,35H,4-14H2,1-3H3,(H2,32,43)(H,37,48)(H,38,44)(H,39,47)(H,40,51)(H,41,49)(H,42,50)(H,45,46)(H,52,53)(H4,33,34,36)/t16-,17-,18-,19-,20-,21-/m0/s1