(2S)-2-[[(2S,3R,4Z)-1-[(2S)-6-[bis(azanyl)methylideneamino]-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methyl-pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R,4Z)-1-[(2S)-6-[bis(azanyl)methylideneamino]-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methyl-pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3R,4Z)-4-ethylidene-1-[(2S)-6-guanidino-2-(3-methylbutanoylamino)hexanoyl]-3-methyl-pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S,3R,4Z)-1-[(2S)-6-(diaminomethylideneamino)-2-[(3-methyl-1-oxobutyl)amino]-1-oxohexyl]-4-ethylidene-3-methyl-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3R,4Z)-1-[(2S)-6-(diaminomethylideneamino)-2-(3-methylbutanoylamino)hexanoyl]-4-ethylidene-3-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3R,4Z)-4-ethylidene-1-[(2S)-6-guanidino-2-(isovalerylamino)hexanoyl]-3-methyl-prolyl]amino]-4-methyl-valeric acid Formula: C26H46N6O5 MolecularWeight: 522.68064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C1CN(C(C1C)C(=O)NC(CC(C)C)C(=O)O)C(=O)C(CCCCN=C(N)N)NC(=O)CC(C)C

Isomeric SMILES

C/C=C/1\CN([C@@H]([C@@H]1C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)[C@H](CCCCN=C(N)N)NC(=O)CC(C)C

InChI

InChI=1S/C26H46N6O5/c1-7-18-14-32(22(17(18)6)23(34)31-20(25(36)37)12-15(2)3)24(35)19(30-21(33)13-16(4)5)10-8-9-11-29-26(27)28/h7,15-17,19-20,22H,8-14H2,1-6H3,(H,30,33)(H,31,34)(H,36,37)(H4,27,28,29)/b18-7+/t17-,19+,20+,22+/m1/s1