IUPAC Name :(2S)-1-[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropano
InChI :InChI=1/C44H69N11O20/c1-7-19(4)34(43(73)55-14-8-9-27(55)44(74)75)54-38(68)22(10-12-28(46)56)49-37(67)23(11-13-29(57)58)48-36(66)21(6)47-39(69)24(15-30(59)60)50-40(70)25(16-31(61)62)51-41(71)26(17-32(63)64)52-42(72)33(18(2)3)53-35(65)20(5)45/h18-27,33-34H,7-17,45H2,1-6H3,(H2,46,56)(H,47,69)(H,48,66)(H,49,67)(H,50,70)(H,51,71)(H,52,72)(H,53,65)(H,54,68)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,74,75)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,33-,34-/m0/s1
Std.InChI: InChI=1S/C44H69N11O20/c1-7-19(4)34(43(73)55-14-8-9-27(55)44(74)75)54-38(68)22(10-12-28(46)56)49-37(67)23(11-13-29(57)58)48-36(66)21(6)47-39(69)24(15-30(59)60)50-40(70)25(16-31(61)62)51-41(71)26(17-32(63)64)52-42(72)33(18(2)3)53-35(65)20(5)45/h18-27,33-34H,7-17,45H2,1-6H3,(H2,46,56)(H,47,69)(H,48,66)(H,49,67)(H,50,70)(H,51,71)(H,52,72)(H,53,65)(H,54,68)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,74,75)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,33-,34-/m0/s1
InChIKey :AYXDLUGNBPVAHO-VZWDUYIWBL
Std.InChIKey: AYXDLUGNBPVAHO-VZWDUYIWSA-N
SMILES :CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N
Molar Refractivity :250.93 ± 0.5 cm3 (est)
Parachor :1973.2 ± 8.0 cm3 (est)
Index of Refraction :1.646 ± 0.05 (est)
Surface Tension :66.5 ± 7.0 dyne/cm (est)
Density :1.55 ± 0.1 g/cm3 (est)
Polarizability :99.48 ± 0.5 10-24cm3 (est)