(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-thiophen-2-yl-propanoic acid Openeye Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2R)-2-amino-3-(2-naphthyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2R)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-thiophen-2-ylpropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: (2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2R)-2-amino-3-(2-naphthyl)propanoyl]prolyl]prolyl]amino]acetyl]amino]-3-(2-thienyl)propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-phenyl-propanoyl]amino]-3-(2-thienyl)propionic acid Formula: C51H58N8O10S2 MolecularWeight: 1007.18382

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CC3=CC4=CC=CC=C4C=C3)N)C(=O)NCC(=O)NC(CC5=CC=CS5)C(=O)NC(CO)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CC=CS7)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3=CC4=CC=CC=C4C=C3)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CS5)C(=O)N[C@@H](CO)C(=O)N[C@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CS7)C(=O)O

InChI

InChI=1S/C51H58N8O10S2/c52-37(25-32-18-19-33-12-4-5-13-34(33)24-32)49(66)59-21-7-17-43(59)50(67)58-20-6-16-42(58)48(65)53-29-44(61)54-39(27-35-14-8-22-70-35)46(63)57-41(30-60)47(64)55-38(26-31-10-2-1-3-11-31)45(62)56-40(51(68)69)28-36-15-9-23-71-36/h1-5,8-15,18-19,22-24,37-43,60H,6-7,16-17,20-21,25-30,52H2,(H,53,65)(H,54,61)(H,55,64)(H,56,62)(H,57,63)(H,68,69)/t37-,38-,39+,40+,41+,42+,43+/m1/s1