(2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid

Systemtic Name: (2S)-2-[[(2S)-5-[bis(azanyl)methylideneamino]-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]pentyl]amino]-1-oxopentyl]amino]-1-oxopentyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-5-guanidino-2-[[(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-[[(2S)-prolyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]succinic acid Formula: C27H48N8O8 MolecularWeight: 612.71882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N8O8/c1-5-15(4)21(35-22(38)16-8-6-10-30-16)25(41)33-18(12-14(2)3)24(40)32-17(9-7-11-31-27(28)29)23(39)34-19(26(42)43)13-20(36)37/h14-19,21,30H,5-13H2,1-4H3,(H,32,40)(H,33,41)(H,34,39)(H,35,38)(H,36,37)(H,42,43)(H4,28,29,31)/t15-,16-,17-,18-,19-,21-/m0/s1