Naja mossambica mossambica cardiotoxin iii

Structural Information

Molecular Formula

C₇₄H₁₁₉N₂₅O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C74H119N25O14/c1-6-41(4)58(96-67(109)51(35-40(2)3)93-62(104)50(26-16-32-87-74(83)84)91-66(108)54(38-57(77)101)92-61(103)46(76)22-14-30-85-72(79)80)71(113)99-34-18-28-56(99)70(112)98-33-17-27-55(98)68(110)95-52(36-43-19-8-7-9-20-43)64(106)94-53(37-44-39-88-47-23-11-10-21-45(44)47)65(107)90-49(24-12-13-29-75)63(105)97-59(42(5)100)69(111)89-48(60(78)102)25-15-31-86-73(81)82/h7-11,19-21,23,39-42,46,48-56,58-59,88,100H,6,12-18,22,24-38,75-76H2,1-5H3,(H2,77,101)(H2,78,102)(H,89,111)(H,90,107)(H,91,108)(H,92,103)(H,93,104)(H,94,106)(H,95,110)(H,96,109)(H,97,105)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t41-,42+,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,58-,59-/m0/s1

InChIKey

ZAINUDLPXMZFRW-LYVIQXBQSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[(2S)-2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide

Related CIDs

• CID 25082634