pyridin-4-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: pyridin-4-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: 4-pyridylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-valeric acid 4-pyridylmethyl ester Formula: C50H63N9O10 MolecularWeight: 950.08952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=NC=C1)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OCC3=CC=NC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C50H63N9O10/c1-30(2)25-42(50(66)69-29-37-21-23-52-24-22-37)57-49(65)43(31(3)4)58-48(64)41(27-35-15-11-8-12-16-35)56-47(63)40(28-36-17-19-38(20-18-36)59(67)68)55-45(61)33(6)53-44(60)32(5)54-46(62)39(51)26-34-13-9-7-10-14-34/h7-24,30-33,39-43H,25-29,51H2,1-6H3,(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,65)(H,58,64)/t32-,33-,39-,40-,41-,42-,43-/m0/s1