(2S)-4-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-3-(1-methanoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-3-(1-methanoylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxidanylidene-5-phenylmethoxy-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1-formylindol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-benzyloxy-5-oxo-pentanoyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-3-(1-formyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1,5-dioxo-5-phenylmethoxypentyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1-formylindol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-benzoxy-5-keto-pentanoyl]amino]-4-keto-butyric acid Formula: C45H63N9O12 MolecularWeight: 922.03482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C=O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)OCC3=CC=CC=C3)C(=O)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C45H63N9O12/c1-45(2,3)66-44(64)53-34(23-29-25-54(27-55)36-18-8-7-15-30(29)36)42(61)50-32(17-10-12-22-47)39(58)49-31(16-9-11-21-46)40(59)51-33(41(60)52-35(43(62)63)24-37(48)56)19-20-38(57)65-26-28-13-5-4-6-14-28/h4-8,13-15,18,25,27,31-35H,9-12,16-17,19-24,26,46-47H2,1-3H3,(H2,48,56)(H,49,58)(H,50,61)(H,51,59)(H,52,60)(H,53,64)(H,62,63)/t31-,32-,33-,34-,35-/m0/s1