Spantide i

Structural Information

Molecular Formula

C₇₅H₁₀₈N₂₀O₁₃

SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C(CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C6CCCN6C(=O)[C@H](CCCCN)NC(=O)C7CCCN7C(=O)[C@@H](CCCN=C(N)N)N

InChI

InChI=1S/C75H108N20O13/c1-42(2)35-55(64(80)98)89-67(101)56(36-43(3)4)90-69(103)59(39-46-41-85-51-23-11-9-20-48(46)51)93-68(102)57(37-44-17-6-5-7-18-44)91-70(104)58(38-45-40-84-50-22-10-8-19-47(45)50)92-66(100)52(27-29-62(78)96)86-65(99)53(28-30-63(79)97)87-71(105)61-26-16-34-95(61)74(108)54(24-12-13-31-76)88-72(106)60-25-15-33-94(60)73(107)49(77)21-14-32-83-75(81)82/h5-11,17-20,22-23,40-43,49,52-61,84-85H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,96)(H2,79,97)(H2,80,98)(H,86,99)(H,87,105)(H,88,106)(H,89,101)(H,90,103)(H,91,104)(H,92,100)(H,93,102)(H4,81,82,83)/t49-,52?,53+,54+,55+,56?,57+,58-,59-,60?,61?/m1/s1

InChIKey

SAPCBHPQLCZCDV-PGNFWBDCSA-N

Compound name

(2S)-2-[[1-[(2S)-6-amino-2-[[1-[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[5-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

Related CIDs

• CID 25075943
• CID 25078100
• CID 25079075