2-[2-[4-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]sulfanylphenyl]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[4-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanylpropanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]sulfanylphenyl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[4-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]sulfanylphenyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[4-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]thio]phenyl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]sulfanylphenyl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[4-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]thio]phenyl]acetyl]amino]acetic acid Formula: C40H50N6O8S MolecularWeight: 774.9254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)CC(=O)NCC(=O)O)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)SC3=CC=C(C=C3)CC(=O)NCC(=O)O)N

InChI

InChI=1S/C40H50N6O8S/c1-24(2)19-31(44-36(50)25(3)41)39(53)45-32(20-27-11-7-5-8-12-27)38(52)43-26(4)37(51)46-33(21-28-13-9-6-10-14-28)40(54)55-30-17-15-29(16-18-30)22-34(47)42-23-35(48)49/h5-18,24-26,31-33H,19-23,41H2,1-4H3,(H,42,47)(H,43,52)(H,44,50)(H,45,53)(H,46,51)(H,48,49)/t25-,26-,31-,32-,33+/m0/s1