GP120-W61D-74-S

pro_cas
pro_cdbregno
CCD00416237
pro_formula
C49 H86 N16 O18 S
pro_molWeight
1219.38

basic_info

Product_Name: GP120-W61D-74-S
EnglishSynonyms: GP120-W61D-74-S ; H-LEU-ASN-GLU-SER-VAL-ALA-ILE-ASN-CYS-THR-ARG-OH ; LNESVAINCTR
pro_mdlNumber: MFCD03790168
pro_acceptors: 34
pro_donors: 20
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)N
InChi: InChI=1S/C49H86N16O18S/c1-9-22(6)36(46(80)60-29(17-33(52)69)42(76)62-31(19-84)44(78)65-37(24(8)67)47(81)58-27(48(82)83)11-10-14-55-49(53)54)64-38(72)23(7)56-45(79)35(21(4)5)63-43(77)30(18-66)61-40(74)26(12-13-34(70)71)57-41(75)28(16-32(51)68)59-39(73)25(50)15-20(2)3/h20-31,35-37,66-67,84H,9-19,50H2,1-8H3,(H2,51,68)(H2,52,69)(H,56,79)(H,57,75)(H,58,81)(H,59,73)(H,60,80)(H,61,74)(H,62,76)(H,63,77)(H,64,72)(H,65,78)(H,70,71)(H,82,83)(H4,53,54,55)/t22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,35-,36-,37-/m0/s1
InChiKey: InChIKey=OUWOMYSUDLTZSJ-RVQMGZOFSA-N

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