(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]ethanoylamino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]acetyl]amino]acetyl]amino]-4-methyl-pentanoyl]amino]-3-mercapto-propanoyl]amino]propanoyl]amino]-3-phenyl-propionic acid Formula: C31H50N10O8S MolecularWeight: 722.8559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N10O8S/c1-17(2)12-21(39-25(43)15-36-24(42)14-37-27(45)20(32)10-7-11-35-31(33)34)28(46)41-23(16-50)29(47)38-18(3)26(44)40-22(30(48)49)13-19-8-5-4-6-9-19/h4-6,8-9,17-18,20-23,50H,7,10-16,32H2,1-3H3,(H,36,42)(H,37,45)(H,38,47)(H,39,43)(H,40,44)(H,41,46)(H,48,49)(H4,33,34,35)/t18-,20-,21-,22-,23-/m0/s1