(phenylmethyl) (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-azanylpropanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-azanylpropanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(3S)-3-[[(2S)-2-aminopropanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid benzyl ester Formula: C40H59N7O9 MolecularWeight: 781.93796

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(C)CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CC(C)NC(=O)CC(C)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](CC(=O)N[C@@H](C)CC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)C[C@H](C)NC(=O)C[C@H](C)NC(=O)[C@H](C)N

InChI

InChI=1S/C40H59N7O9/c1-26(43-34(48)21-27(2)44-36(50)23-29(4)46-38(52)30(5)41)20-35(49)45-28(3)22-37(51)47-33(39(53)55-24-31-14-8-6-9-15-31)18-12-13-19-42-40(54)56-25-32-16-10-7-11-17-32/h6-11,14-17,26-30,33H,12-13,18-25,41H2,1-5H3,(H,42,54)(H,43,48)(H,44,50)(H,45,49)(H,46,52)(H,47,51)/t26-,27-,28-,29-,30-,33-/m0/s1