(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]propanoyl]prolyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-4-methyl-valeric acid Formula: C48H71N9O10 MolecularWeight: 934.13164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(C)C(=O)N2CCCC2C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C48H71N9O10/c1-27(2)22-35(53-42(60)34(49)24-32-16-11-9-12-17-32)44(62)54-36(25-33-18-13-10-14-19-33)43(61)50-26-39(58)51-31(8)47(65)57-21-15-20-38(57)45(63)56-40(29(5)6)46(64)52-30(7)41(59)55-37(48(66)67)23-28(3)4/h9-14,16-19,27-31,34-38,40H,15,20-26,49H2,1-8H3,(H,50,61)(H,51,58)(H,52,64)(H,53,60)(H,54,62)(H,55,59)(H,56,63)(H,66,67)/t30-,31-,34-,35-,36-,37-,38-,40-/m0/s1