IUPAC Name :(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetyl]amino]-2-phenylacetic acid
InChI :InChI=1/C35H40N8O6/c1-21(44)40-27(17-10-18-38-35(36)37)31(45)41-28(19-24-20-39-26-16-9-8-15-25(24)26)32(46)42-29(22-11-4-2-5-12-22)33(47)43-30(34(48)49)23-13-6-3-7-14-23/h2-9,11-16,20,27-30,39H,10,17-19H2,1H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)(H,48,49)(H4,36,37,38)/t27-,28-,29-,30-/m0/s1
Std.InChI: InChI=1S/C35H40N8O6/c1-21(44)40-27(17-10-18-38-35(36)37)31(45)41-28(19-24-20-39-26-16-9-8-15-25(24)26)32(46)42-29(22-11-4-2-5-12-22)33(47)43-30(34(48)49)23-13-6-3-7-14-23/h2-9,11-16,20,27-30,39H,10,17-19H2,1H3,(H,40,44)(H,41,45)(H,42,46)(H,43,47)(H,48,49)(H4,36,37,38)/t27-,28-,29-,30-/m0/s1
InChIKey :HKKVMNZTZSUQBC-KRCBVYEFBL
Std.InChIKey: HKKVMNZTZSUQBC-KRCBVYEFSA-N
SMILES :CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)O
Molar Refractivity :180.74 ± 0.5 cm3 (est)
Parachor :1345.9 ± 8.0 cm3 (est)
Index of Refraction :1.667 ± 0.05
(est)
Surface Tension :59.2 ± 7.0 dyne/cm (est)
Density :1.37 ± 0.1 g/cm3 (est)
Polarizability :71.65 ± 0.5 10-24cm3 (est)