(3S)-4-[(2S)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carbamoyl-propanoyl]amino]-4-oxo-butanoic acid
Molecular Formula:
C46H76N18O13S
InChI: InChI=1/C46H76N18O13S/c1-23(48)37(70)58-27(8-4-16-55-45(51)52)38(71)59-28(9-5-17-56-46(53)54)39(72)63-32(22-78)42(75)60-29(19-24-11-13-25(65)14-12-24)40(73)61-30(20-34(49)66)41(74)62-31(21-35(67)68)44(77)64-18-6-10-33(64)43(76)57-26(36(50)69)7-2-3-15-47/h11-14,23,26-33,65,78H,2-10,15-22,47-48H2,1H3,(H2,49,66)(H2,50,69)(H,57,76)(H,58,70)(H,59,71)(H,60,75)(H,61,73)(H,62,74)(H,63,72)(H,67,68)(H4,51,52,55)(H4,53,54,56)/t23-,26-,27-,28-,29-,30-,31-,32-,33-/m0/s1/f/h57-63,67H,49-54H2
InChIKey: InChIKey=YLQFOVKUVFCKAD-DOTRJWFKDX
SMILES: CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)N)N
Names:
(3S)-4-[(2S)-2-[[(1S)-5-amino-1-carbamoyl-pentyl]carbamoyl]pyrrolidin-1-yl]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carbamoyl-propanoyl]amino]-4-oxo-butanoic acid
Registries:
PubChem CID 9963474
PubChem ID 14939263
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|