Nh2-ala-val-arg-phe-ser-lys-ile-gly-arg-pro-arg-gln-gly-arg-ile-cooh

Structural Information

Molecular Formula

C₇₆H₁₃₃N₂₉O₁₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N

InChI

InChI=1S/C76H133N29O18/c1-8-41(5)58(103-65(115)46(22-13-14-30-77)96-67(117)52(39-106)101-66(116)51(36-44-20-11-10-12-21-44)100-63(113)48(25-17-33-90-75(84)85)99-70(120)57(40(3)4)102-60(110)43(7)78)69(119)93-38-56(109)95-50(26-18-34-91-76(86)87)71(121)105-35-19-27-53(105)68(118)98-47(24-16-32-89-74(82)83)62(112)97-49(28-29-54(79)107)61(111)92-37-55(108)94-45(23-15-31-88-73(80)81)64(114)104-59(72(122)123)42(6)9-2/h10-12,20-21,40-43,45-53,57-59,106H,8-9,13-19,22-39,77-78H2,1-7H3,(H2,79,107)(H,92,111)(H,93,119)(H,94,108)(H,95,109)(H,96,117)(H,97,112)(H,98,118)(H,99,120)(H,100,113)(H,101,116)(H,102,110)(H,103,115)(H,104,114)(H,122,123)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t41-,42-,43-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-,58-,59-/m0/s1

InChIKey

LFWFSXPMLQCTAI-BHHVBERTSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 25082983