(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-bis(azanyl)-5-oxidanylidene-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-1,5-dioxopentyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-3-mercapto-propanoyl]prolyl]amino]propanoyl]amino]-4-methyl-valeric acid Formula: C43H68N10O11S MolecularWeight: 933.12542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)N2CCCC2C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)N)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)N

InChI

InChI=1S/C43H68N10O11S/c1-22(2)18-29(50-38(58)28(44)15-16-34(45)54)39(59)47-24(5)35(55)46-25(6)36(56)49-30(20-27-12-9-8-10-13-27)40(60)52-32(21-65)42(62)53-17-11-14-33(53)41(61)48-26(7)37(57)51-31(43(63)64)19-23(3)4/h8-10,12-13,22-26,28-33,65H,11,14-21,44H2,1-7H3,(H2,45,54)(H,46,55)(H,47,59)(H,48,61)(H,49,56)(H,50,58)(H,51,57)(H,52,60)(H,63,64)/t24-,25-,26-,28-,29-,30-,31-,32-,33-/m0/s1